data_2al3_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 2al3 _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 ' 10' ' ' SER . . . . . 0.492 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 26.3 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.734 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -146.95 144.85 29.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.608 ' O ' ' O ' ' A' ' 24' ' ' VAL . 1.2 t -118.88 144.92 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 7.3 t -130.58 136.86 49.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.03 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.549 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.4 OUTLIER -119.83 117.5 53.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -103.53 109.66 21.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.61 ' CB ' ' O ' ' A' ' 20' ' ' ARG . . . -82.81 130.87 56.28 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.07 -8.07 19.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.53 1.805 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.507 ' C ' ' OD1' ' A' ' 18' ' ' ASN . 35.8 p30 -79.58 2.46 22.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.1 15.8 40.55 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.025 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.61 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -113.72 114.29 26.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 110.325 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -110.39 116.11 30.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.549 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 12.6 p-80 -139.11 138.67 37.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.563 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.544 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 3.5 t -118.74 132.08 56.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.372 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.608 ' O ' ' O ' ' A' ' 12' ' ' VAL . 79.2 t -120.44 126.39 75.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -83.75 118.09 23.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 m -122.11 168.45 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.45 154.25 46.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.601 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.2 Cg_endo -74.98 -12.38 21.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.433 1.754 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.3 p -109.81 -1.49 17.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.982 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -88.75 140.09 29.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.401 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.521 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 3.4 m -77.4 129.71 37.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.487 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -57.42 -21.31 35.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.537 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.6 pp -63.06 -45.45 92.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.71 -39.02 84.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.52 ' CG2' ' N ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -72.08 -50.26 38.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 14.1 tp -61.71 -41.55 97.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.537 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 13.0 mm-40 -67.14 -38.15 85.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.571 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 1.5 m-20 -66.74 -54.25 24.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.579 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 5.2 t -62.72 -34.5 77.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.368 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.594 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 20.1 m -68.33 -36.65 79.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 108.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.564 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -66.34 -48.75 69.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.579 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -73.74 -36.46 65.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.594 ' HG2' ' HA ' ' A' ' 40' ' ' CYS . 2.7 pt20 -93.75 13.13 23.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.486 ' C ' ' O ' ' A' ' 43' ' ' GLN . 4.2 p-10 33.75 69.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.703 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -130.06 159.23 37.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.977 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.431 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.6 m120 -124.47 145.22 48.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.17 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.461 ' CG ' HD12 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -74.97 -35.92 2.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.523 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 13.3 t -64.55 -8.57 14.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.966 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.592 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.5 mt-10 -124.0 -2.57 8.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.703 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 23.4 m-85 -143.39 139.5 30.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.732 ' N ' ' O ' ' A' ' 79' ' ' VAL . 1.2 m-20 -131.27 147.41 52.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.755 ' O ' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -121.6 136.1 54.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.421 ' HG2' ' HA ' ' A' ' 58' ' ' VAL . 1.1 tmmm? -148.7 137.42 21.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -127.94 113.76 16.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.944 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 38.1 tt0 60.65 -109.08 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.422 ' N ' ' HG2' ' A' ' 55' ' ' GLN . 7.7 mtp180 -110.73 14.89 22.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.404 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 3.1 m -120.55 127.83 52.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.441 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.432 ' C ' HD23 ' A' ' 59' ' ' LEU . 4.2 m -81.79 140.32 16.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.755 ' N ' ' O ' ' A' ' 52' ' ' LEU . 3.8 mm? -115.37 118.33 32.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.478 ' HB3' ' CD2' ' A' ' 63' ' ' LEU . 1.4 t70 -145.76 -147.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.461 HD12 ' CG ' ' A' ' 47' ' ' PRO . 9.5 mt -90.25 -40.24 12.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.9 p -88.19 41.44 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.033 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 60' ' ' ASP . 2.9 mm? -135.63 93.58 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.7 OUTLIER -84.39 145.01 28.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.246 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.601 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.0 OUTLIER -63.51 -40.35 96.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 107.96 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.466 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 3.5 ptt180 -56.62 -17.19 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.466 ' CD2' ' HG3' ' A' ' 66' ' ' ARG . 23.0 m-85 -115.98 -60.97 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -55.64 -17.74 6.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 68' ' ' ALA . 5.7 p30 42.82 94.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.509 ' CD2' HD12 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -99.14 160.65 27.1 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.579 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -75.0 172.43 16.38 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.789 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.588 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -40.59 -85.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.734 ' C ' ' O ' ' A' ' 11' ' ' ALA . 1.0 OUTLIER -64.46 -1.71 1.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.579 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 27.01 83.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.451 ' C ' ' CD1' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -90.68 120.54 31.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.511 ' CD1' ' N ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -115.61 152.37 33.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.434 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 1.8 mt-10 -101.41 133.0 46.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.55 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -90.69 134.02 34.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.732 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.3 p -146.1 134.72 10.96 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.799 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.1 Cg_endo -75.07 133.04 16.01 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.466 1.772 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.799 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 6.2 p 165.15 -166.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.549 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 8.1 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.022 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.417 ' OG ' ' HD3' ' A' ' 28' ' ' PRO . 95.6 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.73 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.26 146.99 29.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.62 ' O ' ' O ' ' A' ' 24' ' ' VAL . 0.8 OUTLIER -118.74 137.1 53.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.143 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 4.7 t -120.61 135.31 55.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.491 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.82 117.44 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -104.02 109.7 21.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.615 ' CB ' ' O ' ' A' ' 20' ' ' ARG . . . -80.82 131.7 59.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.06 -8.01 19.62 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 20' ' ' ARG . 50.6 p30 -79.64 2.74 21.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.74 15.87 41.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.615 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -114.61 114.49 25.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 110.273 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -110.23 116.15 30.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.491 ' O ' ' O ' ' A' ' 14' ' ' VAL . 11.9 p-80 -139.13 138.84 37.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.587 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.484 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 3.5 t -118.02 131.7 56.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 110.389 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.62 ' O ' ' O ' ' A' ' 12' ' ' VAL . 73.3 t -120.33 126.81 75.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -86.6 121.19 28.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.6 m -125.17 168.52 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.52 154.23 56.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.57 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -75.02 -12.45 21.47 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.487 1.783 . . . . 0.0 110.956 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.3 p -108.57 -4.74 16.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.969 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.462 ' CG2' ' HG2' ' A' ' 34' ' ' GLN . 1.4 m -87.83 139.63 30.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.423 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.502 HG12 ' CG ' ' A' ' 33' ' ' LEU . 17.1 t -77.98 133.33 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.491 ' O ' HG21 ' A' ' 35' ' ' VAL . 1.1 mt -56.93 -21.28 28.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.533 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 1.2 pp -62.88 -44.84 95.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.23 -39.27 86.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.287 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.506 ' CG2' ' N ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -72.06 -49.48 43.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.506 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 4.0 tt -60.93 -41.67 96.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 12.2 mm-40 -63.51 -43.23 97.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.591 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 4.6 m-20 -60.92 -54.16 48.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.572 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 44.9 m -62.72 -34.58 77.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.408 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.535 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 10.5 m -68.34 -36.56 79.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 108.301 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.565 ' HG2' ' N ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -67.4 -48.88 66.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.591 ' CD ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -75.21 -37.37 61.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.258 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.566 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 2.4 pt20 -92.38 5.92 48.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 40' ' ' CYS . 5.2 p-10 39.83 67.16 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.817 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 m-85 -127.35 159.4 34.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.463 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -121.17 144.22 39.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 50' ' ' TYR . 18.2 Cg_endo -75.02 -36.26 2.64 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.529 ' C ' ' O ' ' A' ' 81' ' ' VAL . 10.9 t -65.29 -8.68 19.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.619 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 2.5 mm-40 -123.7 1.46 8.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.817 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 18.3 m-85 -146.0 139.47 26.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.625 ' N ' ' O ' ' A' ' 79' ' ' VAL . 6.5 m-20 -131.32 147.24 52.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.782 ' O ' ' N ' ' A' ' 59' ' ' LEU . 1.3 mm? -121.86 136.29 54.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 11.1 ttpt -148.85 139.59 22.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.356 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CE2' ' HD3' ' A' ' 71' ' ' PRO . 0.2 OUTLIER -122.94 113.79 19.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.475 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 34.1 tt0 56.56 -104.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.475 ' N ' ' HG2' ' A' ' 55' ' ' GLN . 8.3 mtp180 -110.8 14.34 22.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.554 ' O ' ' N ' ' A' ' 54' ' ' PHE . 3.4 m -117.93 132.03 56.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.448 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.436 ' O ' HD13 ' A' ' 63' ' ' LEU . 27.4 m -90.31 140.57 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.782 ' N ' ' O ' ' A' ' 52' ' ' LEU . 4.1 mm? -117.36 118.17 31.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.413 ' N ' HD12 ' A' ' 63' ' ' LEU . 8.1 t0 -138.18 -153.61 0.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.489 ' CD2' HD22 ' A' ' 36' ' ' LEU . 5.1 mt -90.31 -42.38 10.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.4 p -85.91 40.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.451 ' O ' ' CD1' ' A' ' 32' ' ' LEU . 44.0 mt -143.21 110.85 5.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.422 ' OE1' ' CD2' ' A' ' 67' ' ' PHE . 13.7 mp0 -94.13 156.14 16.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.585 ' CE3' HD11 ' A' ' 70' ' ' LEU . 0.7 OUTLIER -63.37 -38.71 92.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 107.995 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.514 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 17.0 ptt180 -56.12 -27.99 56.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.514 ' CD2' ' HG3' ' A' ' 66' ' ' ARG . 30.5 m-85 -100.9 -55.65 2.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -59.26 -19.94 50.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.46 ' O ' ' O ' ' A' ' 68' ' ' ALA . 5.3 p30 40.79 93.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.585 HD11 ' CE3' ' A' ' 65' ' ' TRP . 5.9 mt -104.93 158.14 32.67 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.582 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -75.01 172.6 16.04 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.497 1.788 . . . . 0.0 111.021 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.627 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -35.84 -90.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.73 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -63.88 -1.93 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.59 ' C ' ' O ' ' A' ' 73' ' ' ASN . . . 24.35 88.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.428 ' HA ' ' HB3' ' A' ' 13' ' ' SER . 0.0 OUTLIER -85.94 122.18 29.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.49 HD23 ' CD2' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -122.1 153.82 38.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -103.98 144.31 31.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.503 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -99.23 134.47 42.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.625 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.5 p -145.88 136.03 11.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.842 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.98 133.1 16.21 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.842 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 6.6 p 162.04 -154.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.565 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 9.1 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.042 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.6 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 31.7 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.707 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.23 143.12 27.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.615 ' O ' ' O ' ' A' ' 24' ' ' VAL . 1.1 t -118.68 137.48 52.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.53 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 19.5 t -123.76 135.84 54.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.527 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.92 117.47 53.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pp -102.55 109.58 21.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.619 ' CB ' ' O ' ' A' ' 20' ' ' ARG . . . -81.58 131.07 59.12 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.99 -8.14 19.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.43 ' OD1' ' C ' ' A' ' 18' ' ' ASN . 18.5 p30 -79.67 3.5 18.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.91 15.75 44.32 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.446 1.091 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.619 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 1.5 mmt180 -114.04 114.39 26.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.25 116.01 30.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.527 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 14.8 p-80 -139.19 138.6 37.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.581 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 0.5 OUTLIER -118.77 131.94 56.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.345 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.615 ' O ' ' O ' ' A' ' 12' ' ' VAL . 73.6 t -120.31 123.51 70.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.44 111.37 14.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 m -112.22 168.42 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.463 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -96.23 154.28 38.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.363 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.599 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -75.01 -12.72 21.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.778 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 p -110.91 -5.51 14.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.972 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.6 m -87.94 140.15 29.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.439 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.529 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 6.0 m -77.38 127.48 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 35' ' ' VAL . 5.8 mt -56.91 -21.43 29.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.5 pp -64.08 -45.15 90.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.61 -38.96 84.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.513 ' CG2' ' N ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -72.03 -50.05 39.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.513 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 16.5 tp -60.01 -39.4 85.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 6.8 mm-40 -64.68 -44.03 91.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.523 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 5.3 m-20 -60.11 -54.18 48.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.591 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 64.0 m -62.11 -34.85 77.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.413 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.514 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 17.2 m -68.17 -36.62 79.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 108.327 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.565 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 2.6 ptt180 -68.02 -48.88 64.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.591 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.3 OUTLIER -74.93 -37.26 62.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.555 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 1.8 pt20 -90.76 3.47 54.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 40' ' ' CYS . 3.0 p-10 42.72 66.66 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.799 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.2 m-85 -128.02 159.28 35.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.5 m-20 -123.13 144.32 43.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.451 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -74.99 -35.26 3.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.524 ' C ' ' O ' ' A' ' 81' ' ' VAL . 30.0 t -66.47 -8.35 25.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.634 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.4 mm-40 -123.35 1.36 9.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.799 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 17.5 m-85 -146.65 139.17 25.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.67 ' N ' ' O ' ' A' ' 79' ' ' VAL . 4.0 m-20 -131.58 147.68 52.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.761 ' O ' ' N ' ' A' ' 59' ' ' LEU . 10.3 mt -121.47 133.92 55.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 57' ' ' THR . 3.7 tmmm? -147.89 138.73 23.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.43 ' CE1' ' HG3' ' A' ' 55' ' ' GLN . 4.1 t80 -124.71 113.7 18.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.43 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 9.7 mt-30 59.63 -107.3 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.351 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.2 mmp_? -110.88 14.98 22.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.451 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 2.7 m -120.96 120.95 36.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.424 ' O ' HD12 ' A' ' 63' ' ' LEU . 27.0 m -81.97 140.68 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.761 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -119.4 125.12 48.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -142.07 -149.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.451 HD11 ' CG ' ' A' ' 47' ' ' PRO . 96.0 mt -90.21 -40.38 12.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.5 p -85.63 38.27 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 58' ' ' VAL . 31.6 mt -142.07 107.71 5.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.464 ' HG3' ' CG1' ' A' ' 31' ' ' VAL . 19.2 mp0 -93.99 157.26 16.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.6 ' CH2' ' HB3' ' A' ' 10' ' ' SER . 1.2 t90 -63.36 -43.06 98.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 108.019 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -56.2 -15.89 4.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -111.53 -61.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -60.4 -17.73 45.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.459 ' O ' ' O ' ' A' ' 68' ' ' ALA . 8.1 p-10 42.5 95.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.468 HD23 ' CD2' ' A' ' 59' ' ' LEU . 5.8 mt -102.78 157.74 33.13 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.572 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -75.0 172.46 16.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.788 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.646 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -37.76 -87.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.707 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -63.69 -1.94 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.608 ' C ' ' O ' ' A' ' 73' ' ' ASN . . . 22.33 90.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.501 ' C ' ' CD1' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -93.42 121.0 34.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.544 ' CD1' ' N ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -116.82 153.21 32.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -101.93 132.76 47.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.489 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -88.89 135.43 33.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.953 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.67 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.1 m -146.06 135.99 11.82 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.853 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.99 132.99 16.06 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.526 1.803 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.853 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 6.8 p 160.79 -154.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.565 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 10.1 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.599 ' OG ' ' CZ2' ' A' ' 65' ' ' TRP . 1.8 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.685 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.23 141.91 26.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.585 ' O ' ' O ' ' A' ' 24' ' ' VAL . 1.2 t -118.75 143.76 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.535 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 30.0 t -129.76 135.75 48.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.988 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.474 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.73 117.48 53.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -103.79 109.78 21.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.624 ' CB ' ' O ' ' A' ' 20' ' ' ARG . . . -82.54 130.82 57.27 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.05 -8.16 19.77 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.52 ' OD1' ' HB2' ' A' ' 20' ' ' ARG . 40.8 p30 -79.71 1.47 26.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.24 15.92 36.79 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.624 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 7.7 mmp_? -113.97 114.49 26.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.15 115.97 30.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.474 ' O ' ' O ' ' A' ' 14' ' ' VAL . 11.9 p-80 -139.26 138.68 36.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.562 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 4.7 t -118.79 132.71 56.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.372 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.585 ' O ' ' O ' ' A' ' 12' ' ' VAL . 53.6 t -120.61 128.63 76.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.234 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.99 116.73 23.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.5 m -119.49 168.41 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.24 154.22 43.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.46 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.606 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.2 Cg_endo -74.99 -12.7 21.53 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.487 1.783 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 p -111.03 -3.2 15.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.412 HG22 ' CG1' ' A' ' 35' ' ' VAL . 1.3 m -88.74 140.06 29.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.475 ' CG2' ' HG ' ' A' ' 33' ' ' LEU . 13.3 m -77.24 127.34 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.549 ' O ' HG22 ' A' ' 35' ' ' VAL . 65.3 mt -56.93 -21.22 28.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.503 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.8 pp -63.02 -45.59 91.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.613 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.75 -37.84 82.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.613 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.3 -48.09 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.483 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 19.5 tp -62.78 -37.64 87.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 5.7 mm-40 -65.97 -43.46 87.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.489 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 1.4 m-20 -62.36 -53.98 47.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.575 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 6.2 m -59.84 -36.67 77.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.407 1.067 . . . . 0.0 110.412 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.518 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 16.5 m -68.21 -36.69 79.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 108.309 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.563 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -68.04 -48.96 64.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.107 . . . . 0.0 110.321 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.575 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.3 OUTLIER -74.99 -37.29 61.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.567 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 1.5 pt20 -90.77 3.22 54.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' CYS . 1.3 p30 42.68 66.2 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.795 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.2 m-85 -127.36 159.2 35.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.447 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 4.8 t30 -122.77 143.98 41.56 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 50' ' ' TYR . 18.3 Cg_endo -75.02 -35.86 2.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.514 ' C ' ' O ' ' A' ' 81' ' ' VAL . 47.7 t -65.39 -8.33 18.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.634 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 2.6 mm-40 -123.58 -0.09 8.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.27 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.795 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 15.0 m-85 -145.95 139.34 26.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.679 ' N ' ' O ' ' A' ' 79' ' ' VAL . 6.5 m-20 -131.42 147.58 52.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.741 ' O ' ' N ' ' A' ' 59' ' ' LEU . 4.5 mp -121.54 136.96 54.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.444 ' HG2' ' HA ' ' A' ' 58' ' ' VAL . 3.1 tmmm? -149.05 143.23 25.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.482 ' HB3' ' CD2' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -134.3 113.71 12.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.462 ' CG ' ' N ' ' A' ' 56' ' ' ARG . 3.7 tp60 58.95 -108.04 0.38 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.462 ' N ' ' CG ' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -110.72 14.93 22.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.137 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.406 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 3.0 m -120.57 126.62 50.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.406 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.444 ' HA ' ' HG2' ' A' ' 53' ' ' LYS . 4.3 m -83.79 140.36 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.741 ' N ' ' O ' ' A' ' 52' ' ' LEU . 4.3 mm? -113.55 117.14 30.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.473 ' HB3' ' CD2' ' A' ' 63' ' ' LEU . 3.4 t0 -144.36 -148.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.425 HD13 ' CG ' ' A' ' 47' ' ' PRO . 16.6 mt -90.1 -38.14 13.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.9 p -88.7 39.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 60' ' ' ASP . 3.0 mm? -135.95 102.2 4.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 68' ' ' ALA . 22.5 mp0 -93.93 147.93 22.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.606 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.1 t90 -63.31 -42.99 99.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -57.28 -15.85 7.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -112.85 -63.58 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -58.54 -13.97 6.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.428 ' ND2' ' C ' ' A' ' 68' ' ' ALA . 5.3 p30 40.7 90.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.46 ' CD1' HD13 ' A' ' 59' ' ' LEU . 54.7 mt -95.47 161.26 28.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.626 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -75.03 172.45 16.34 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.59 1.837 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.581 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -45.34 -76.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.685 ' C ' ' O ' ' A' ' 11' ' ' ALA . 1.6 m-20 -68.13 -1.82 6.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.626 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 24.05 84.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.488 ' C ' ' CD1' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -90.86 122.68 33.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.488 ' CD1' ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -121.07 149.5 42.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -101.67 135.17 43.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.429 ' HE2' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -90.92 136.39 33.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.679 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -146.1 136.45 12.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.868 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.03 132.98 15.99 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.868 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 6.3 p 159.87 -153.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.558 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 77.8 p . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.634 ' OG ' ' CZ2' ' A' ' 65' ' ' TRP . 1.4 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.629 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.12 140.96 25.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.643 ' O ' ' O ' ' A' ' 24' ' ' VAL . 1.2 t -118.82 132.32 69.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.536 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 11.3 t -122.05 135.23 54.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.961 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.556 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.64 117.31 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.256 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pp -102.23 109.65 21.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.623 ' CB ' ' O ' ' A' ' 20' ' ' ARG . . . -82.77 131.25 55.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.02 -8.33 19.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.791 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.585 ' OD1' ' CB ' ' A' ' 16' ' ' ALA . 1.1 p-10 -79.86 6.03 12.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.97 15.89 52.79 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.623 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 3.5 mmt-85 -113.7 114.44 26.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.774 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.3 115.98 30.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.556 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 9.1 p-80 -139.26 138.61 36.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.605 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.536 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 4.5 t -118.84 132.95 56.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.403 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.643 ' O ' ' O ' ' A' ' 12' ' ' VAL . 77.8 t -120.48 124.38 72.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.17 113.03 19.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.407 1.067 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 m -117.49 168.52 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.28 154.33 46.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.557 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -74.98 -12.3 21.54 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.474 1.776 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 p -109.6 -2.33 17.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.027 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -87.56 140.38 29.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.409 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.446 ' CG1' ' HG2' ' A' ' 64' ' ' GLN . 11.9 m -77.08 126.94 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.589 ' O ' HG21 ' A' ' 35' ' ' VAL . 4.2 mt -56.7 -21.45 27.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.524 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.3 pp -64.14 -44.06 93.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.654 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.89 -37.25 81.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.654 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.46 -50.22 36.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 13.5 tp -60.48 -39.52 87.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 5.2 mm-40 -65.43 -44.44 87.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.33 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.562 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 1.2 m-20 -59.85 -54.1 50.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.586 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 13.0 p -63.1 -35.23 79.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.391 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.535 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 15.4 m -68.14 -36.64 80.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.321 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.567 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -67.97 -48.8 64.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.586 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -75.12 -37.38 61.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.552 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 2.9 pt20 -91.43 4.51 52.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 40' ' ' CYS . 3.5 p-10 41.4 66.95 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.818 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.2 m-85 -127.77 159.35 35.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.439 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 2.2 m-20 -122.53 145.41 44.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.478 ' CB ' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.07 -35.13 3.27 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.543 1.812 . . . . 0.0 111.035 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.536 ' C ' ' O ' ' A' ' 81' ' ' VAL . 10.2 t -66.28 -8.4 24.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.636 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.6 mt-10 -123.56 0.68 8.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.818 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 18.7 m-85 -147.47 139.48 24.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' A' ' 79' ' ' VAL . 7.0 m-20 -131.33 147.7 52.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.79 ' O ' ' N ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -121.37 134.0 55.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 57' ' ' THR . 3.9 tmmm? -147.09 142.83 27.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.535 ' CE2' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -130.14 113.65 14.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 56.78 -105.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.88 14.84 22.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.435 ' HB ' ' CD2' ' A' ' 54' ' ' PHE . 5.8 m -120.46 123.01 41.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.454 ' O ' HD13 ' A' ' 63' ' ' LEU . 29.2 m -82.9 140.66 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.79 ' N ' ' O ' ' A' ' 52' ' ' LEU . 4.0 mm? -115.86 117.63 30.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.401 ' N ' HD12 ' A' ' 63' ' ' LEU . 7.7 t0 -139.17 -154.14 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.478 HD11 ' CB ' ' A' ' 47' ' ' PRO . 51.4 mt -90.25 -42.59 10.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.1 p -85.02 39.57 0.77 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.454 HD13 ' O ' ' A' ' 58' ' ' VAL . 23.9 mt -144.55 109.12 4.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.467 ' N ' ' OE1' ' A' ' 64' ' ' GLN . 14.4 mp0 -94.03 157.18 16.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.634 ' CZ2' ' OG ' ' A' ' 10' ' ' SER . 0.8 OUTLIER -63.34 -42.33 98.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 108.006 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 ptm85 -56.77 -15.97 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -111.64 -61.58 1.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.442 ' C ' ' ND2' ' A' ' 69' ' ' ASN . . . -56.78 -17.65 9.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.442 ' ND2' ' C ' ' A' ' 68' ' ' ALA . 5.2 p30 42.05 92.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.552 HD12 ' CE3' ' A' ' 65' ' ' TRP . 1.3 mt -103.88 162.48 19.81 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.559 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.98 172.37 16.5 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.575 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -43.42 -82.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.629 ' C ' ' O ' ' A' ' 11' ' ' ALA . 32.4 t-20 -61.84 -2.68 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.591 ' C ' ' O ' ' A' ' 73' ' ' ASN . . . 23.23 89.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -94.26 116.1 28.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.523 ' CD1' ' N ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -111.75 150.45 30.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -101.53 133.38 46.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.246 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.454 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -90.31 128.03 36.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.593 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.8 m -139.86 137.18 18.04 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.857 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.01 132.95 15.98 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.857 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 7.9 p 160.3 -150.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.58 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 56.9 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.506 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 4.3 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.725 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.24 140.19 25.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.614 ' O ' ' O ' ' A' ' 24' ' ' VAL . 2.7 t -119.22 143.28 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.564 ' N ' ' O ' ' A' ' 74' ' ' ALA . 47.9 t -134.18 133.77 41.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.981 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.553 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.5 OUTLIER -119.92 117.52 53.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pp -103.02 109.75 21.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.619 ' CB ' ' O ' ' A' ' 20' ' ' ARG . . . -83.29 130.74 55.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.417 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -74.95 -8.1 19.82 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.473 1.775 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 20' ' ' ARG . 45.8 p30 -79.55 4.31 16.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.78 15.75 48.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.619 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -114.38 114.29 25.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 110.323 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.35 116.18 30.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.553 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 20.7 p-80 -137.97 138.61 39.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.565 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.511 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 3.5 t -118.83 133.52 55.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.416 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.614 ' O ' ' O ' ' A' ' 12' ' ' VAL . 62.4 t -120.52 131.93 71.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.6 111.86 23.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.497 ' CG2' HG21 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -125.28 168.54 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.22 153.61 69.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.375 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.533 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.4 Cg_endo -75.0 -13.68 21.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.9 p -101.41 -3.02 29.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.463 ' CG2' ' HG2' ' A' ' 34' ' ' GLN . 1.8 m -88.68 139.95 29.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.506 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 13.0 t -77.45 132.97 31.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.511 ' CD1' HD21 ' A' ' 59' ' ' LEU . 1.8 mt -57.35 -21.4 35.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.525 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 1.6 pp -62.38 -44.81 95.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.71 -40.74 84.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.486 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.8 OUTLIER -72.26 -48.27 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.483 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 8.2 tt -58.7 -45.85 88.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 6.8 mm-40 -64.99 -38.31 90.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.592 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 4.8 m-20 -59.79 -54.27 48.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.573 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 5.3 t -66.11 -34.3 77.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.386 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.541 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 13.1 m -67.9 -36.53 80.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 108.331 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.569 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.38 -48.99 65.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.592 ' CD ' ' O ' ' A' ' 38' ' ' ASP . 0.3 OUTLIER -75.14 -37.46 61.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.55 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 2.5 pt20 -91.37 4.06 53.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 40' ' ' CYS . 8.8 p-10 41.81 66.98 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.809 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.2 m-85 -127.65 159.29 35.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -121.1 145.39 41.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.474 ' CB ' HD12 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.03 -34.9 3.44 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.542 ' C ' ' O ' ' A' ' 81' ' ' VAL . 8.8 t -65.73 -8.4 20.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.613 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 18.4 mt-10 -123.05 -0.67 8.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.809 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 27.0 m-85 -146.83 139.35 24.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.612 ' N ' ' O ' ' A' ' 79' ' ' VAL . 6.6 m-20 -131.28 147.57 52.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.794 ' O ' ' N ' ' A' ' 59' ' ' LEU . 3.3 mp -121.68 133.9 54.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 57' ' ' THR . 2.2 ttpt -148.54 143.16 26.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.607 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -129.52 113.85 15.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.443 ' CG ' ' N ' ' A' ' 56' ' ' ARG . 5.5 tt0 60.09 -106.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.443 ' N ' ' CG ' ' A' ' 55' ' ' GLN . 3.1 mtm105 -110.64 14.81 22.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.5 ' HB ' ' CD2' ' A' ' 54' ' ' PHE . 8.7 m -118.78 128.19 54.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.457 ' O ' HD13 ' A' ' 63' ' ' LEU . 35.8 m -89.44 140.59 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.794 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -116.03 120.04 37.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.428 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.0 t0 -139.66 -152.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.474 HD12 ' CB ' ' A' ' 47' ' ' PRO . 14.5 mt -90.34 -42.49 10.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.402 ' O ' HD22 ' A' ' 63' ' ' LEU . 95.4 p -85.9 40.74 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.941 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 58' ' ' VAL . 34.7 mt -144.71 111.17 5.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.67 157.16 16.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.567 ' CE3' HD11 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -63.43 -45.4 91.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 107.998 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -58.36 -14.17 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -103.67 -62.98 1.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -65.97 -11.7 49.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 65' ' ' TRP . 5.5 p-10 41.48 93.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.567 HD11 ' CE3' ' A' ' 65' ' ' TRP . 5.2 mt -95.39 161.19 28.74 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.655 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.96 172.46 16.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.771 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.619 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -40.71 -82.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.725 ' C ' ' O ' ' A' ' 11' ' ' ALA . 1.1 t-20 -65.13 -1.84 2.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.655 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 27.19 88.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.487 ' C ' ' CD1' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -98.24 117.72 33.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.583 ' CD1' ' N ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -114.82 154.11 29.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -101.8 131.09 48.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.417 ' O ' ' HG3' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -85.9 134.77 33.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.612 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -146.1 136.05 11.85 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.839 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.97 132.89 15.97 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.839 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 8.8 p 161.17 -149.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.586 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 51.8 p . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.571 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 60.8 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.747 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -146.5 144.2 29.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.765 ' O ' ' O ' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -118.72 131.52 71.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.562 ' O ' ' N ' ' A' ' 76' ' ' LEU . 8.6 t -120.6 131.49 54.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.537 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -119.71 117.3 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.569 HD11 ' HA ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -106.62 122.25 45.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 20' ' ' ARG . . . -88.11 135.94 32.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.04 -8.58 20.16 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.406 ' OD1' ' C ' ' A' ' 18' ' ' ASN . 15.5 p30 -80.04 2.36 24.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.37 15.92 39.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.453 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 1.4 mtt180 -111.11 114.28 27.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 0.757 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.436 ' NE ' ' HB2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -110.38 119.99 40.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.537 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 10.2 p-80 -139.26 134.49 32.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.587 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 3.6 t -118.71 126.98 53.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.445 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.765 ' O ' ' O ' ' A' ' 12' ' ' VAL . 59.1 t -120.46 123.43 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.86 113.78 21.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 m -119.5 168.56 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.26 154.41 44.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.369 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.583 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.2 Cg_endo -75.05 -12.21 21.4 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 p -108.99 -2.91 17.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.434 HG21 ' CG1' ' A' ' 35' ' ' VAL . 1.5 m -88.7 140.23 29.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.425 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.519 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 5.2 m -77.28 128.82 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.485 ' O ' HG21 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -56.81 -21.08 26.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.57 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.7 pp -63.51 -45.45 90.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.247 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.67 -39.18 84.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.511 ' CG2' ' N ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -72.27 -49.87 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.511 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 11.2 tp -61.42 -43.05 99.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.57 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.6 mm-40 -61.63 -44.22 97.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.317 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.551 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -64.76 -54.28 33.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.583 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 89.1 m -57.19 -35.69 69.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.585 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 13.6 m -68.18 -36.52 79.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 108.307 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.561 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -67.33 -48.46 67.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.583 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -74.79 -37.34 62.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 110.306 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.585 ' HG2' ' HA ' ' A' ' 40' ' ' CYS . 5.6 pt20 -94.69 10.11 36.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 40' ' ' CYS . 1.7 p30 34.87 66.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.578 ' HB2' ' CG ' ' A' ' 43' ' ' GLN . 1.1 m-30 -126.41 159.28 33.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.439 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 0.8 OUTLIER -123.58 142.11 38.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' A' ' 50' ' ' TYR . 18.5 Cg_endo -74.93 -35.75 3.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.501 ' C ' ' O ' ' A' ' 81' ' ' VAL . 30.7 t -65.54 -8.43 19.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.973 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.605 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.8 mm-40 -123.6 -0.4 8.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.514 ' N ' ' O ' ' A' ' 81' ' ' VAL . 21.5 m-85 -146.94 139.38 24.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.683 ' N ' ' O ' ' A' ' 79' ' ' VAL . 5.2 m-20 -131.31 147.33 52.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.716 ' O ' ' N ' ' A' ' 59' ' ' LEU . 19.5 mt -121.69 137.21 54.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -148.68 143.16 26.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.46 ' CZ ' ' HG3' ' A' ' 71' ' ' PRO . 1.1 t80 -132.75 113.8 13.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 58.23 -107.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -110.56 14.85 22.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.6 m -119.92 133.07 55.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.6 m -89.42 140.31 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.716 ' N ' ' O ' ' A' ' 52' ' ' LEU . 2.7 mm? -115.2 119.69 37.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.451 ' HB3' ' CD2' ' A' ' 63' ' ' LEU . 5.1 t0 -150.39 -149.43 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.443 ' CD2' HD23 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -89.89 -42.25 11.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.8 p -87.2 40.96 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.451 ' CD2' ' HB3' ' A' ' 60' ' ' ASP . 3.3 mm? -137.59 96.57 3.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.461 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 2.8 mp0 -82.83 147.0 28.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.583 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.4 t90 -63.34 -41.73 98.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 108.023 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -56.34 -16.05 4.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -112.32 -54.72 2.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -64.52 -17.47 63.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 69' ' ' ASN . 8.5 p-10 39.52 91.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.497 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 25.1 mt -98.41 159.93 29.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.61 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -74.98 172.51 16.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.781 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.638 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -35.05 -90.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.747 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -64.27 -1.96 1.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.61 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 28.63 92.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.52 ' C ' ' CD1' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -90.41 124.62 35.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.562 ' N ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -118.23 151.73 37.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.569 ' HA ' HD11 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -101.36 129.56 47.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.423 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -86.63 132.8 33.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.683 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.2 m -146.15 134.64 10.88 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.863 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.06 133.09 16.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.863 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 7.3 p 160.61 -152.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.58 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 47.0 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.469 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 28.9 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.754 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -145.25 143.47 30.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.632 ' O ' ' O ' ' A' ' 24' ' ' VAL . 1.1 t -118.93 143.63 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.543 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 39.8 t -127.36 137.63 52.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.484 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.5 OUTLIER -119.79 117.54 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -104.18 109.64 21.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.601 ' CB ' ' O ' ' A' ' 20' ' ' ARG . . . -83.69 131.37 52.37 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.4 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.02 -8.07 19.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.799 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -79.71 4.36 16.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.87 15.87 47.32 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.601 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 3.8 mmt85 -113.99 114.37 26.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.757 . . . . 0.0 110.26 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.38 116.02 30.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.484 ' O ' ' O ' ' A' ' 14' ' ' VAL . 11.8 p-80 -139.23 138.36 36.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.596 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.543 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 5.0 t -118.75 132.48 56.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.632 ' O ' ' O ' ' A' ' 12' ' ' VAL . 60.2 t -120.55 128.72 76.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 7.8 pttt -84.34 115.49 22.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 m -114.01 168.47 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.71 154.2 42.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.356 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.579 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.2 Cg_endo -74.98 -12.3 21.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.537 1.809 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.0 p -112.3 -5.69 14.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.1 m -88.81 140.15 29.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.365 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.479 HG11 ' CD2' ' A' ' 33' ' ' LEU . 16.9 t -77.35 145.23 10.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.534 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -68.48 -21.35 64.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.509 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 1.8 pp -60.3 -43.66 96.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.615 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.78 -39.52 84.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.615 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.46 -48.52 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.489 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 5.5 tt -58.65 -46.44 87.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 3.7 mm-40 -66.79 -39.26 87.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.622 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -60.04 -54.37 46.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.62 ' HG1' ' NE2' ' A' ' 43' ' ' GLN . 9.6 t -65.92 -34.28 77.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.595 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 13.2 m -67.49 -36.35 80.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 108.273 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.725 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.14 -48.62 67.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.725 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -75.2 -37.37 61.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.62 ' NE2' ' HG1' ' A' ' 39' ' ' THR . 3.3 pt20 -93.2 7.55 43.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 40' ' ' CYS . 3.8 p-10 38.24 67.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.77 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 m-85 -127.45 159.39 34.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -122.82 145.21 44.81 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.473 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.0 -34.86 3.5 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.5 1.789 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.501 ' C ' ' O ' ' A' ' 81' ' ' VAL . 7.7 t -65.2 -8.41 17.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.592 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.5 mm-40 -123.58 -0.87 8.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.77 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 20.8 m-85 -146.47 139.27 25.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.612 ' N ' ' O ' ' A' ' 79' ' ' VAL . 3.7 m-20 -131.46 147.27 52.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.787 ' O ' ' N ' ' A' ' 59' ' ' LEU . 1.8 mp -121.79 134.77 54.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -148.99 143.15 25.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.534 ' CE1' ' HG3' ' A' ' 55' ' ' GLN . 0.4 OUTLIER -129.67 113.76 15.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.534 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 21.1 mm-40 58.89 -106.27 0.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.3 mtt-85 -110.71 14.8 22.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.6 m -118.55 135.38 54.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.417 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.2 m -91.08 140.4 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.787 ' N ' ' O ' ' A' ' 52' ' ' LEU . 2.6 mm? -117.87 118.0 30.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.484 ' HB3' ' CD2' ' A' ' 63' ' ' LEU . 1.1 t70 -146.44 -146.81 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.473 HD11 ' CG ' ' A' ' 47' ' ' PRO . 1.6 mt -90.18 -39.74 12.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.4 p -87.42 40.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.972 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.484 ' CD2' ' HB3' ' A' ' 60' ' ' ASP . 3.1 mm? -132.9 99.4 4.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 68' ' ' ALA . 11.7 mp0 -90.21 144.52 25.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.579 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.3 t90 -63.28 -39.32 94.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 108.009 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -60.63 -12.41 10.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -116.42 -62.22 1.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -60.2 -16.23 31.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 69' ' ' ASN . 8.2 p-10 40.91 87.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.464 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 0.4 OUTLIER -87.56 158.56 51.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.569 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.97 172.46 16.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.511 1.795 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.619 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -36.97 -89.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.754 ' C ' ' O ' ' A' ' 11' ' ' ALA . 2.4 t30 -64.65 -1.82 2.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.569 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 27.98 85.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.481 ' C ' ' CD1' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -89.95 123.49 33.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.49 ' CD1' ' N ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -117.74 152.18 35.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -101.39 131.16 47.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.4 ' O ' ' HG3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -88.84 133.15 34.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.612 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.7 p -145.98 137.13 12.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.847 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.01 132.85 15.87 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.847 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 5.9 p 161.39 -154.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.55 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 58.6 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.403 ' OG ' ' HD3' ' A' ' 28' ' ' PRO . 20.9 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.75 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.11 142.66 27.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.67 ' O ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -118.91 131.72 70.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.734 ' O ' ' N ' ' A' ' 76' ' ' LEU . 8.9 t -118.43 129.76 55.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.597 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -119.77 117.1 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.607 ' O ' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -107.04 123.64 48.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.522 ' CB ' ' OD1' ' A' ' 18' ' ' ASN . . . -87.63 136.67 32.67 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.487 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.98 -8.42 20.08 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.54 1.811 . . . . 0.0 111.055 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.522 ' OD1' ' CB ' ' A' ' 16' ' ' ALA . 32.4 p-10 -79.97 -0.05 33.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.36 15.8 31.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -111.32 114.17 27.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 110.301 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.44 118.09 35.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.597 ' O ' ' O ' ' A' ' 14' ' ' VAL . 8.7 p-80 -139.13 138.02 36.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.655 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 2.4 t -118.72 129.74 55.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.377 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.67 ' O ' ' O ' ' A' ' 12' ' ' VAL . 97.0 t -120.38 123.37 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.13 113.05 25.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.485 ' CG2' HG22 ' A' ' 12' ' ' VAL . 1.1 m -118.04 168.58 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.04 154.48 63.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.589 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -75.01 -12.29 21.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.8 p -109.91 -2.01 17.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 110.043 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.448 HG22 ' CG1' ' A' ' 35' ' ' VAL . 1.2 m -88.83 140.32 29.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.366 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.513 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 3.9 m -77.2 129.56 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.499 ' CD1' ' CD1' ' A' ' 59' ' ' LEU . 6.6 mt -58.74 -21.31 54.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.535 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.7 pp -62.2 -45.91 91.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.513 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.51 -39.73 85.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.49 ' CG2' ' N ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -72.09 -48.92 47.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.49 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 7.8 tt -58.52 -44.84 89.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.535 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.5 mm-40 -66.72 -38.62 87.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.55 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -59.99 -54.24 48.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.595 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 5.0 t -60.84 -34.49 74.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.379 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.529 ' O ' ' N ' ' A' ' 44' ' ' ASP . 9.2 m -68.17 -36.63 79.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 108.293 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.702 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.91 -48.59 65.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.702 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -75.11 -37.32 61.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.248 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.556 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 3.1 pt20 -93.49 7.23 45.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 40' ' ' CYS . 1.3 p30 38.87 67.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.822 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 m-85 -127.65 159.36 34.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -118.93 141.0 29.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.477 ' CB ' HD11 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -75.0 -34.21 4.0 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 39.2 t -65.01 -8.54 16.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.573 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 63.6 mt-10 -123.77 -1.78 8.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.822 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 20.1 m-85 -141.71 139.43 32.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.571 ' N ' ' O ' ' A' ' 79' ' ' VAL . 19.9 m-20 -131.24 147.42 52.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.772 ' O ' ' N ' ' A' ' 59' ' ' LEU . 3.6 mp -121.64 136.03 54.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 57' ' ' THR . 26.2 ttpt -146.61 140.15 25.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.583 ' CZ ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -129.42 113.86 15.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.473 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 2.9 mt-30 59.6 -107.96 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.55 14.4 22.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.457 ' HB ' ' CD2' ' A' ' 54' ' ' PHE . 13.9 m -119.15 133.25 55.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.407 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 13.8 m -88.63 140.46 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.772 ' N ' ' O ' ' A' ' 52' ' ' LEU . 2.9 mm? -113.71 117.8 32.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -147.62 -159.97 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.477 HD11 ' CB ' ' A' ' 47' ' ' PRO . 10.7 mt -90.27 10.6 24.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.4 ' O ' HD12 ' A' ' 63' ' ' LEU . 5.2 p -132.41 34.91 3.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.978 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 58' ' ' VAL . 2.8 mm? -142.6 110.56 5.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -94.13 148.37 22.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.589 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.2 t-105 -63.34 -40.36 97.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 108.033 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -57.36 -16.49 9.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -113.2 -52.85 2.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.408 ' C ' ' OD1' ' A' ' 69' ' ' ASN . . . -64.82 -20.71 66.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 69' ' ' ASN . 8.8 p-10 40.65 88.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.532 HD21 ' CD2' ' A' ' 65' ' ' TRP . 0.2 OUTLIER -91.51 159.87 37.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.608 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.1 Cg_endo -75.05 172.49 16.27 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.64 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -32.76 -93.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.75 ' C ' ' O ' ' A' ' 11' ' ' ALA . 1.9 t30 -64.86 -1.95 2.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.608 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 30.23 86.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.58 125.04 29.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.734 ' N ' ' O ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -122.13 153.57 38.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.541 ' HA ' ' CD1' ' A' ' 15' ' ' LEU . 2.5 pt-20 -106.7 135.89 47.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.257 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.487 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -93.77 132.53 38.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.975 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.571 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.6 p -146.12 133.99 10.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.665 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.92 133.12 16.32 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.493 1.786 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.665 ' CG1' ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER 165.72 -161.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 48.4 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.416 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 37.4 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.6 ' O ' ' O ' ' A' ' 72' ' ' ASN . . . -147.06 140.11 25.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.274 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.62 ' O ' ' O ' ' A' ' 24' ' ' VAL . 1.2 t -118.81 139.76 45.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 74' ' ' ALA . 3.8 t -127.92 133.18 49.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.554 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.4 OUTLIER -119.84 117.39 53.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -103.22 109.65 21.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.63 ' CB ' ' O ' ' A' ' 20' ' ' ARG . . . -82.74 131.43 54.68 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.5 Cg_endo -74.95 -8.08 19.79 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.807 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 20' ' ' ARG . 47.0 p-10 -79.63 4.29 16.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.64 15.92 47.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.63 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 4.5 mtt-85 -114.9 114.35 25.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 0.778 . . . . 0.0 110.336 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.32 116.23 31.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 110.261 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.554 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 15.2 p-80 -138.99 138.42 37.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.607 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.511 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 30.5 p -118.72 131.4 56.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.62 ' O ' ' O ' ' A' ' 12' ' ' VAL . 54.0 t -120.47 135.84 59.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.75 139.38 37.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.437 HG23 ' CE3' ' A' ' 65' ' ' TRP . 16.2 m -136.71 168.45 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.128 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.48 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -102.67 154.19 37.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.567 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.4 Cg_endo -75.01 -12.17 21.48 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 p -113.86 -6.32 13.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.027 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -88.81 140.33 29.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.153 . . . . 0.0 110.374 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.509 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 3.3 m -77.36 141.95 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.489 ' O ' HG23 ' A' ' 35' ' ' VAL . 23.5 mt -69.23 -21.44 63.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.521 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.9 pp -61.54 -41.84 97.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.69 -40.6 84.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.319 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.508 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.1 -45.65 61.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.436 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 6.5 tt -60.86 -46.76 89.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 7.7 mm-40 -63.75 -41.11 98.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.543 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.7 OUTLIER -63.33 -54.22 40.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.583 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 75.7 m -59.33 -34.72 72.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.382 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.551 ' O ' ' CA ' ' A' ' 44' ' ' ASP . 8.9 m -68.07 -36.42 79.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 108.275 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.797 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.55 -48.41 67.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.797 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -75.18 -37.39 61.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.55 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 4.2 pt20 -95.97 11.23 34.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.551 ' CA ' ' O ' ' A' ' 40' ' ' CYS . 4.1 p-10 34.22 68.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.756 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -127.15 159.42 34.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.435 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 2.9 m120 -122.29 142.5 37.07 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 50' ' ' TYR . 18.3 Cg_endo -74.96 -35.23 3.3 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.494 ' C ' ' O ' ' A' ' 81' ' ' VAL . 8.9 t -65.07 -8.55 16.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.002 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.661 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 5.1 mt-10 -123.86 -1.14 8.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.756 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 14.8 m-85 -143.42 139.48 29.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.629 ' N ' ' O ' ' A' ' 79' ' ' VAL . 8.9 m-20 -131.32 147.46 52.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.78 ' O ' ' N ' ' A' ' 59' ' ' LEU . 2.9 mp -121.61 134.1 55.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -147.67 141.56 25.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.466 ' HB3' ' CD2' ' A' ' 59' ' ' LEU . 2.1 t80 -131.09 113.7 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 59.14 -107.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -110.74 14.87 22.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.42 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 4.6 m -120.4 123.96 44.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.418 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.414 ' HA ' ' HG2' ' A' ' 53' ' ' LYS . 3.7 m -82.94 140.47 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.78 ' N ' ' O ' ' A' ' 52' ' ' LEU . 2.5 mm? -115.36 117.77 31.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.466 ' HB3' ' CD2' ' A' ' 63' ' ' LEU . 9.1 t0 -141.83 -145.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.0 mt -90.06 -38.23 13.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.8 p -89.68 40.79 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.054 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 60' ' ' ASP . 3.1 mm? -131.85 101.21 5.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 68' ' ' ALA . 1.0 OUTLIER -93.98 145.25 24.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.264 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.567 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.2 t90 -63.18 -39.88 95.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 108.014 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -58.78 -14.87 9.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -115.34 -66.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.484 ' HB2' ' CD1' ' A' ' 70' ' ' LEU . . . -52.37 -20.7 2.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.435 ' CG ' ' O ' ' A' ' 68' ' ' ALA . 7.7 p-10 42.32 92.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.537 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 0.1 OUTLIER -100.47 165.66 13.99 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.537 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.02 172.42 16.4 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.6 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -46.2 -78.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.603 ' O ' ' C ' ' A' ' 74' ' ' ALA . 1.4 m-20 -64.26 -2.75 2.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.603 ' C ' ' O ' ' A' ' 73' ' ' ASN . . . 22.33 87.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.506 ' C ' ' CD1' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -94.88 120.14 34.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.538 ' CD1' ' N ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -117.35 151.71 36.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 1.9 mt-10 -102.21 132.67 47.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.579 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -91.04 137.07 32.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 110.968 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.629 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.3 m -146.05 138.95 14.14 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.843 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -75.01 133.05 16.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.843 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 5.6 p 161.97 -162.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.554 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.573 ' OG ' ' CZ2' ' A' ' 65' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.763 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.18 142.31 27.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.635 ' O ' ' O ' ' A' ' 24' ' ' VAL . 4.7 t -119.46 145.37 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.525 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 40.3 t -134.17 134.38 42.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.032 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.443 ' CG1' HD21 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -119.89 117.71 54.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pp -103.08 109.7 21.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.589 ' CB ' ' O ' ' A' ' 20' ' ' ARG . . . -83.78 131.52 51.66 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.97 -8.44 20.1 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.781 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.586 ' OD1' ' CB ' ' A' ' 16' ' ' ALA . 1.4 p-10 -79.98 6.78 10.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.87 16.02 55.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.589 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 2.4 mtt180 -112.84 114.22 26.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 110.354 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -110.46 116.02 30.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.431 ' O ' ' O ' ' A' ' 14' ' ' VAL . 32.9 p-80 -139.13 138.22 36.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.604 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.525 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 5.3 t -118.89 133.86 55.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.372 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.635 ' O ' ' O ' ' A' ' 12' ' ' VAL . 77.0 t -120.55 132.87 69.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.418 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -97.24 107.84 20.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.521 ' CG2' HG22 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -118.77 168.44 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.15 154.28 72.26 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.372 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.565 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -75.06 -12.21 21.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.2 p -106.78 1.36 24.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.976 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.8 140.1 29.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.502 ' CG2' ' HG ' ' A' ' 33' ' ' LEU . 6.8 m -77.5 130.43 36.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.533 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -57.04 -21.44 31.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.258 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.504 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.1 pp -63.44 -44.6 94.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.599 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.84 -38.63 83.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.599 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.35 -48.7 46.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.491 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 8.5 tp -60.86 -42.25 97.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 5.8 mm-40 -67.06 -38.73 86.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.565 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 6.5 m-20 -65.7 -54.42 27.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.561 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 12.6 t -64.13 -34.07 77.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.436 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.588 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 16.1 m -67.96 -36.55 80.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.323 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.566 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -66.37 -48.83 68.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.566 ' N ' ' CG ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -74.98 -37.3 61.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.588 ' HG2' ' HA ' ' A' ' 40' ' ' CYS . 4.0 pt20 -94.32 13.19 24.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 43' ' ' GLN . 2.8 p-10 31.81 69.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.779 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 0.9 OUTLIER -129.18 159.27 36.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.433 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 3.2 t30 -123.91 143.57 42.57 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.435 ' CG ' HD12 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.0 -34.91 3.46 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.498 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 13.2 t -64.9 -8.53 15.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.619 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 4.9 mm-40 -123.82 -2.36 8.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.779 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 12.7 m-85 -144.84 139.54 27.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.619 ' N ' ' O ' ' A' ' 79' ' ' VAL . 6.7 m-20 -131.31 147.36 52.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.815 ' O ' ' N ' ' A' ' 59' ' ' LEU . 1.5 mp -121.87 133.85 54.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 57' ' ' THR . 17.6 ttpt -149.13 142.42 25.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.594 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -128.4 113.81 16.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.435 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 15.9 mm-40 65.69 -110.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.8 mtm-85 -110.57 14.82 22.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 110.337 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.423 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 2.8 m -119.58 127.1 52.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.383 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.7 m -87.0 140.46 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.815 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -117.15 123.32 46.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.257 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' CB ' HD22 ' A' ' 63' ' ' LEU . 3.0 t0 -138.93 -147.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.441 ' CD2' HD22 ' A' ' 36' ' ' LEU . 78.9 mt -90.23 -39.42 12.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.4 p -87.73 39.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.056 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.427 HD22 ' CB ' ' A' ' 60' ' ' ASP . 2.0 mm? -131.3 105.55 7.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.551 ' NE2' ' CD2' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -91.65 141.38 28.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.251 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.573 ' CZ2' ' OG ' ' A' ' 10' ' ' SER . 0.9 OUTLIER -61.04 -41.1 95.94 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.557 ' HG3' ' CD1' ' A' ' 67' ' ' PHE . 15.6 ptm180 -64.72 -7.89 12.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.557 ' CD1' ' HG3' ' A' ' 66' ' ' ARG . 7.2 m-30 -114.37 -59.13 2.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.405 ' HB3' ' CD1' ' A' ' 70' ' ' LEU . . . -70.11 -9.06 54.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' A' ' 65' ' ' TRP . 4.1 p30 41.08 89.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.567 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 0.1 OUTLIER -85.99 159.83 53.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.531 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.1 Cg_endo -75.02 172.47 16.3 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.469 1.773 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.628 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -42.3 -85.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.763 ' C ' ' O ' ' A' ' 11' ' ' ALA . 1.4 t-20 -63.0 -1.83 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.534 ' HB1' ' O ' ' A' ' 11' ' ' ALA . . . 29.24 76.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.517 ' C ' ' CD1' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -92.85 117.05 29.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.629 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -113.89 153.92 28.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.51 128.72 47.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.559 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -85.41 136.02 33.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.619 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.6 m -145.31 141.21 16.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.873 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.97 133.07 16.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.873 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 5.8 p 160.3 -159.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.347 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.564 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 22.7 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.586 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 2.5 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.722 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -146.38 147.87 31.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.728 ' O ' ' O ' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -118.57 131.72 70.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.578 ' O ' ' N ' ' A' ' 76' ' ' LEU . 9.2 t -119.86 130.36 54.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.179 . . . . 0.0 109.992 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.559 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -119.61 117.32 53.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.599 HD13 ' HA ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -105.86 124.15 49.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.568 ' CB ' ' O ' ' A' ' 20' ' ' ARG . . . -86.83 136.37 34.48 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.99 -8.18 19.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.541 1.811 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 20' ' ' ARG . 47.3 p30 -79.64 2.24 23.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.67 15.61 39.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.568 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 33.6 mtt-85 -115.9 114.3 24.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -110.3 125.95 53.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.097 . . . . 0.0 110.277 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.559 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 11.7 p-80 -139.13 136.56 35.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 0.0 109.607 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 4.6 t -118.76 125.66 50.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.728 ' O ' ' O ' ' A' ' 12' ' ' VAL . 50.4 t -120.46 123.47 70.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.85 114.41 21.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 m -118.42 168.48 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.51 154.15 48.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.377 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.556 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.4 Cg_endo -74.96 -12.37 21.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.487 1.783 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.0 p -107.84 -5.94 16.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.3 m -88.8 140.04 29.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.358 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.472 HG12 ' CG ' ' A' ' 33' ' ' LEU . 6.5 t -77.41 135.5 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.605 ' O ' HG23 ' A' ' 35' ' ' VAL . 5.3 mt -60.55 -21.28 62.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.527 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 1.1 pp -62.47 -45.34 93.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.616 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.38 -37.77 83.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.616 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.37 -50.16 37.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 13.8 tp -61.29 -39.45 90.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 5.4 mm-40 -66.0 -43.55 87.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.569 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 1.2 m-20 -63.28 -54.3 39.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.589 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 97.8 m -61.3 -34.55 75.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 44' ' ' ASP . 15.4 m -68.28 -36.71 79.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 108.252 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.566 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.88 -48.93 64.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.589 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -74.91 -37.35 62.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.555 ' CG ' ' HB2' ' A' ' 45' ' ' PHE . 1.6 pt20 -90.69 2.22 56.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 40' ' ' CYS . 2.3 p-10 43.4 66.69 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.795 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.3 m-85 -128.44 159.19 36.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.46 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -123.53 143.77 42.44 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.469 ' CB ' HD13 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.0 -35.53 3.08 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.455 1.766 . . . . 0.0 110.972 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.51 ' C ' ' O ' ' A' ' 81' ' ' VAL . 45.1 t -65.41 -8.38 18.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.621 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 7.4 mt-10 -123.69 -1.39 8.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.795 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 14.3 m-85 -144.93 139.42 27.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.633 ' N ' ' O ' ' A' ' 79' ' ' VAL . 7.5 m-20 -131.34 147.51 52.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.763 ' O ' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -121.71 134.34 54.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.438 ' HG2' ' HA ' ' A' ' 58' ' ' VAL . 1.9 tmmm? -146.69 142.7 28.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.483 ' O ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -134.28 113.74 12.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.464 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 2.8 mm-40 60.18 -109.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -110.6 14.81 22.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.41 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 1.3 m -120.4 127.34 52.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.438 ' HA ' ' HG2' ' A' ' 53' ' ' LYS . 4.0 m -84.66 140.44 16.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.763 ' N ' ' O ' ' A' ' 52' ' ' LEU . 4.3 mm? -114.9 118.32 33.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.467 ' HB3' ' CD2' ' A' ' 63' ' ' LEU . 7.7 t0 -145.05 -148.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.469 HD13 ' CB ' ' A' ' 47' ' ' PRO . 5.1 mt -90.27 -39.27 12.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.8 p -86.66 38.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.019 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.491 ' O ' ' CD1' ' A' ' 32' ' ' LEU . 3.2 mm? -134.05 106.28 7.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.43 ' HG3' ' CG1' ' A' ' 31' ' ' VAL . 11.8 mp0 -93.98 144.36 25.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.591 ' CE3' HD13 ' A' ' 70' ' ' LEU . 1.4 t90 -63.43 -40.65 97.74 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -56.76 -15.09 4.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.467 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 10.1 m-85 -114.49 -57.81 2.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 69' ' ' ASN . . . -60.14 -15.5 24.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 67' ' ' PHE . 6.2 p30 37.45 82.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.591 HD13 ' CE3' ' A' ' 65' ' ' TRP . 8.8 mt -86.59 161.43 48.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.578 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -75.01 172.53 16.19 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.672 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -37.59 -88.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.722 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -64.12 -1.78 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.578 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 26.58 86.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.509 ' C ' ' CD1' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -88.4 127.62 35.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.578 ' N ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -121.99 153.88 37.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.599 ' HA ' HD13 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -102.85 130.71 49.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.678 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -87.88 134.56 33.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.633 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.5 m -146.13 136.15 11.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.871 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.97 133.01 16.12 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.871 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 6.3 p 160.02 -155.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.245 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.56 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 72.8 p . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.475 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 57.8 m . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.73 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -142.67 149.43 38.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.675 ' O ' ' O ' ' A' ' 24' ' ' VAL . 0.6 OUTLIER -118.76 138.93 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.615 ' O ' ' N ' ' A' ' 76' ' ' LEU . 9.2 t -125.47 129.32 49.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.593 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -119.75 117.22 53.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.558 ' CD2' ' C ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -107.55 120.97 43.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 20' ' ' ARG . . . -84.57 135.42 40.83 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -75.01 -8.27 19.91 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.508 1.794 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.449 ' OD1' ' HB2' ' A' ' 20' ' ' ARG . 42.8 p30 -79.68 0.91 28.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.62 15.51 34.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.544 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 4.7 mmp_? -114.13 114.36 25.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.434 ' CG ' ' HB2' ' A' ' 15' ' ' LEU . 4.0 mtp180 -110.12 123.43 49.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.593 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 9.9 p-80 -139.18 136.28 34.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.58 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 4.0 t -118.71 125.56 49.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.675 ' O ' ' O ' ' A' ' 12' ' ' VAL . 60.3 t -120.31 123.39 70.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -83.7 107.69 16.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 m -106.7 167.06 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.478 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -92.07 153.93 43.3 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.556 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.4 Cg_endo -74.98 -12.46 21.57 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.445 1.761 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 p -112.97 -4.76 13.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.021 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -88.07 140.19 29.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.511 ' CG2' ' HG ' ' A' ' 33' ' ' LEU . 12.7 m -77.44 128.25 38.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.236 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.544 ' O ' HG21 ' A' ' 35' ' ' VAL . 2.1 mt -57.08 -21.3 30.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.551 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.5 pp -62.1 -45.64 92.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.637 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.71 -37.95 82.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.637 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.8 OUTLIER -72.33 -50.17 37.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.517 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 16.6 tp -62.44 -37.7 86.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.551 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 6.8 mm-40 -65.89 -41.81 91.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.549 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 5.8 m-20 -64.5 -54.13 37.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.585 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 68.8 m -58.42 -35.56 72.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.419 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.529 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 18.9 m -68.24 -36.59 79.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 108.293 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.562 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 1.9 ptt180 -67.61 -48.64 66.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.585 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -74.93 -37.3 62.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.564 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 4.6 pt20 -95.78 13.06 27.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.513 ' C ' ' O ' ' A' ' 43' ' ' GLN . 0.9 OUTLIER 31.77 69.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CG ' ' HG3' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -127.56 159.36 34.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.427 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 0.5 OUTLIER -122.91 141.72 36.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.478 ' CB ' HD12 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.02 -35.04 3.35 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.48 1.779 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 81' ' ' VAL . 1.7 p -64.77 -8.62 15.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.969 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.597 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 2.9 mt-10 -123.71 -2.55 8.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.355 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.574 ' CD1' ' CE ' ' A' ' 78' ' ' MET . 21.3 m-85 -144.73 139.43 27.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.653 ' N ' ' O ' ' A' ' 79' ' ' VAL . 2.8 m-20 -131.17 147.25 52.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.805 ' O ' ' N ' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -121.81 134.65 54.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 57' ' ' THR . 2.5 ttmm -148.8 137.33 21.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.573 ' CZ ' ' HG3' ' A' ' 71' ' ' PRO . 0.2 OUTLIER -115.86 113.71 23.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.451 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 5.7 mm-40 56.78 -103.06 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.72 14.9 22.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.542 ' O ' ' N ' ' A' ' 54' ' ' PHE . 5.9 m -117.35 133.76 55.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.379 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.442 ' O ' HD13 ' A' ' 63' ' ' LEU . 26.4 m -91.73 140.59 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.805 ' N ' ' O ' ' A' ' 52' ' ' LEU . 3.9 mm? -120.34 119.66 33.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -141.83 -153.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.478 HD12 ' CB ' ' A' ' 47' ' ' PRO . 8.2 mt -90.24 -40.54 12.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.6 p -86.16 39.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 58' ' ' VAL . 23.7 mt -144.19 108.29 4.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.439 ' N ' ' OE1' ' A' ' 64' ' ' GLN . 7.3 mp0 -90.94 154.4 19.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.556 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.0 OUTLIER -62.9 -42.86 99.93 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -18.29 9.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -105.39 -64.87 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.462 ' C ' ' ND2' ' A' ' 69' ' ' ASN . . . -56.69 -18.87 13.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.462 ' ND2' ' C ' ' A' ' 68' ' ' ALA . 5.2 p30 42.3 93.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.49 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 0.2 OUTLIER -98.85 159.14 31.06 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.6 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -74.98 172.55 16.14 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.801 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.644 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -35.0 -90.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.73 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -64.79 -1.99 2.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.6 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 27.88 85.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -84.13 121.34 27.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.615 ' N ' ' O ' ' A' ' 13' ' ' SER . 0.3 OUTLIER -122.13 154.05 37.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.522 ' HA ' ' CD1' ' A' ' 15' ' ' LEU . 6.6 mt-10 -106.87 141.23 38.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.574 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -92.7 135.64 33.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 111.023 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.653 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.5 p -146.13 135.42 11.39 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.816 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.05 132.82 15.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.816 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 6.3 p 162.77 -156.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.566 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 12.2 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.994 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.734 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.05 146.71 30.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.71 ' O ' ' O ' ' A' ' 24' ' ' VAL . 1.1 t -118.79 149.39 21.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.617 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 31.4 t -137.49 134.08 35.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.039 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.73 117.45 53.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pp -101.59 109.59 21.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.599 ' CB ' ' O ' ' A' ' 20' ' ' ARG . . . -81.71 131.47 57.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.405 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.96 -8.57 20.24 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.55 1.816 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -80.11 4.46 17.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.11 15.83 46.68 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.599 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -112.35 114.3 26.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -110.33 116.21 31.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 14' ' ' VAL . 19.4 p-80 -138.64 138.78 38.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.596 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.617 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 14.8 p -118.65 130.61 55.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.397 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.71 ' O ' ' O ' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -120.56 134.43 64.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.83 127.37 32.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.557 ' CG1' ' N ' ' A' ' 27' ' ' THR . 2.7 t -121.74 167.43 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.557 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -110.57 154.27 43.18 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.412 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.531 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.2 Cg_endo -74.98 -12.32 21.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.535 1.808 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.9 p -114.87 -3.49 12.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.3 m -88.81 139.18 30.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.434 ' CG2' ' HG ' ' A' ' 33' ' ' LEU . 12.5 m -77.66 127.46 38.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 35' ' ' VAL . 7.2 mt -57.02 -21.36 30.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.518 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.3 pp -64.51 -44.64 90.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.654 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.81 -38.06 82.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.264 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.654 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.48 -49.81 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.514 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 6.1 tt -61.35 -42.75 99.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.8 mm-40 -65.64 -38.67 90.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.586 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -59.8 -54.23 48.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.56 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 12.3 t -61.91 -34.41 76.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.57 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 8.5 m -67.94 -36.42 80.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 108.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.559 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -66.48 -48.8 68.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.586 ' CD ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -75.13 -37.37 61.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.57 ' HG2' ' HA ' ' A' ' 40' ' ' CYS . 5.1 pt20 -95.13 11.25 32.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 40' ' ' CYS . 3.4 p-10 34.31 68.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.837 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -126.79 159.28 34.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 18.4 m120 -121.36 144.61 40.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.349 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.448 ' O ' ' O ' ' A' ' 50' ' ' TYR . 18.2 Cg_endo -74.98 -36.52 2.51 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.516 ' C ' ' O ' ' A' ' 81' ' ' VAL . 10.2 t -63.21 -8.59 8.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.634 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 69.0 mt-10 -123.7 0.59 8.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.837 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 14.8 m-85 -146.97 139.45 24.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.612 ' N ' ' O ' ' A' ' 79' ' ' VAL . 7.0 m-20 -131.21 147.63 52.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.779 ' O ' ' N ' ' A' ' 59' ' ' LEU . 13.2 mt -121.58 133.9 55.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 4.0 ttpt -146.57 143.12 28.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.245 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.515 ' CE2' ' HD3' ' A' ' 71' ' ' PRO . 0.1 OUTLIER -129.38 113.84 15.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.426 ' CG ' ' N ' ' A' ' 56' ' ' ARG . 7.8 tt0 59.1 -106.89 0.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.426 ' N ' ' CG ' ' A' ' 55' ' ' GLN . 7.7 mmp_? -110.58 14.8 22.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.403 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 18.8 m -119.08 130.68 55.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.361 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.417 ' O ' HD13 ' A' ' 63' ' ' LEU . 33.3 m -88.96 140.48 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.779 ' N ' ' O ' ' A' ' 52' ' ' LEU . 4.0 mm? -116.87 119.68 36.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -141.38 -154.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.505 ' CD2' HD23 ' A' ' 36' ' ' LEU . 3.4 mt -90.18 -41.62 11.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.132 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.8 p -84.2 39.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 37.6 mt -144.72 108.9 4.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.455 ' N ' ' OE1' ' A' ' 64' ' ' GLN . 20.0 mp0 -93.98 156.46 16.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.531 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.1 t90 -63.26 -43.76 97.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 107.989 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -15.22 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -112.19 -62.44 1.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.45 ' C ' ' ND2' ' A' ' 69' ' ' ASN . . . -60.9 -15.96 36.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.45 ' ND2' ' C ' ' A' ' 68' ' ' ALA . 4.5 p30 41.7 92.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.247 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 65' ' ' TRP . 0.2 OUTLIER -96.86 159.57 31.23 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.554 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.5 Cg_endo -74.97 172.38 16.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.782 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.681 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -40.37 -86.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.734 ' C ' ' O ' ' A' ' 11' ' ' ALA . 2.0 t30 -62.79 -1.86 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.557 ' C ' ' O ' ' A' ' 73' ' ' ASN . . . 25.24 84.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.451 ' HA ' ' HB3' ' A' ' 13' ' ' SER . 0.0 OUTLIER -92.51 118.21 30.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.467 ' CD1' ' N ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -112.33 153.28 27.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 3.7 pt-20 -101.33 129.71 47.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.405 ' O ' ' HG3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -85.34 132.73 34.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.612 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.4 m -146.13 137.7 13.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.87 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.95 132.95 16.08 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.518 1.799 . . . . 0.0 111.034 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.87 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 6.2 p 159.9 -153.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.565 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 23.8 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.719 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -146.54 140.13 25.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.622 ' O ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -119.3 143.94 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.567 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 29.5 t -129.85 136.99 50.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.487 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.77 117.54 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -102.98 109.77 21.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.637 ' CB ' ' O ' ' A' ' 20' ' ' ARG . . . -83.43 130.99 54.18 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.6 Cg_endo -74.94 -8.21 19.92 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.454 1.765 . . . . 0.0 111.06 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.426 ' OD1' ' HB2' ' A' ' 20' ' ' ARG . 10.2 p30 -79.8 4.47 16.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.79 15.85 47.68 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.637 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 1.8 mmt180 -114.34 114.49 25.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.275 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -110.11 115.82 30.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.487 ' O ' ' O ' ' A' ' 14' ' ' VAL . 13.7 p-80 -139.36 138.64 36.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.575 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.567 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 5.6 t -118.7 134.09 55.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.622 ' O ' ' O ' ' A' ' 12' ' ' VAL . 53.8 t -120.44 131.47 72.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.31 119.18 32.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.528 ' CG2' HG22 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -128.71 168.42 21.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.94 154.11 67.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.544 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -74.96 -12.29 21.6 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.8 p -106.43 -1.43 23.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.5 m -88.38 140.24 29.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.449 ' CG2' ' HG ' ' A' ' 33' ' ' LEU . 5.0 m -77.29 128.94 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.573 ' O ' HG21 ' A' ' 35' ' ' VAL . 4.8 mt -56.88 -21.44 29.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.525 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.7 pp -62.23 -44.45 96.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.64 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.75 -38.33 83.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 110.319 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.64 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.32 -48.41 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.489 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 6.2 tt -59.81 -46.57 88.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.1 mm-40 -63.85 -38.77 92.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.564 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 4.7 m-20 -63.1 -54.21 41.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.585 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 1.7 p -62.73 -34.37 77.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 110.428 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.566 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 14.0 m -67.7 -36.44 80.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 108.273 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.564 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.56 -48.9 65.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.585 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -75.05 -37.38 61.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.566 ' HG2' ' HA ' ' A' ' 40' ' ' CYS . 2.7 pt20 -93.88 7.92 43.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 40' ' ' CYS . 6.4 p-10 37.16 67.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.718 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 m-85 -127.64 159.31 35.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 3.3 m-80 -121.65 143.57 38.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.487 ' CB ' HD12 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.0 -34.63 3.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.503 ' C ' ' O ' ' A' ' 81' ' ' VAL . 42.1 t -65.98 -8.44 22.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.622 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.6 mm-40 -123.66 0.51 8.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.718 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 17.2 m-85 -147.46 139.36 24.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.656 ' N ' ' O ' ' A' ' 79' ' ' VAL . 5.2 m-20 -131.33 147.23 52.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.785 ' O ' ' N ' ' A' ' 59' ' ' LEU . 2.3 mp -121.82 136.59 54.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.402 ' HG3' ' HA ' ' A' ' 58' ' ' VAL . 2.7 ttmm -148.68 137.05 21.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.549 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -124.08 113.8 18.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 110.985 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.453 ' CG ' ' N ' ' A' ' 56' ' ' ARG . 0.6 OUTLIER 58.84 -107.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.453 ' N ' ' CG ' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -110.61 14.82 22.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.522 ' HB ' ' CD2' ' A' ' 54' ' ' PHE . 12.0 m -120.28 125.88 49.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.356 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.406 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 2.6 m -82.49 140.49 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.785 ' N ' ' O ' ' A' ' 52' ' ' LEU . 1.3 mm? -114.45 117.62 31.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.504 ' CB ' HD21 ' A' ' 63' ' ' LEU . 7.4 t0 -144.12 -149.41 0.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.487 HD12 ' CB ' ' A' ' 47' ' ' PRO . 3.2 mt -90.32 -38.76 13.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.421 ' O ' HD13 ' A' ' 63' ' ' LEU . 61.8 p -88.58 39.43 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.014 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.526 ' O ' ' CD1' ' A' ' 32' ' ' LEU . 1.6 mm? -134.35 106.84 7.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.14 141.71 28.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.544 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.0 OUTLIER -63.33 -39.85 95.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 108.003 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.578 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 6.2 ptp180 -56.79 -21.9 32.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.578 ' CD2' ' HG3' ' A' ' 66' ' ' ARG . 23.1 m-85 -108.67 -54.65 2.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.421 ' HB3' ' CD1' ' A' ' 70' ' ' LEU . . . -61.16 -17.25 51.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 67' ' ' PHE . 5.3 p30 41.14 86.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.435 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 2.8 mp -88.29 161.98 41.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.561 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -75.03 172.34 16.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.45 1.763 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.613 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -42.57 -82.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.719 ' C ' ' O ' ' A' ' 11' ' ' ALA . 17.6 m-20 -65.57 -1.76 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.609 ' O ' ' HA ' ' A' ' 12' ' ' VAL . . . 25.76 86.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -93.43 118.87 31.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.523 ' CD2' HG13 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -112.08 152.0 28.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -104.41 126.63 51.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.64 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -85.35 135.01 34.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.656 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.7 p -146.02 138.55 13.82 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.88 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.5 Cg_endo -74.92 133.0 16.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.542 1.812 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.88 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 5.9 p 159.78 -154.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.552 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 25.0 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.028 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.562 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 71.5 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.739 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -145.76 145.69 30.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.561 ' O ' ' O ' ' A' ' 24' ' ' VAL . 1.2 t -120.43 142.95 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.565 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 22.6 t -130.49 134.21 46.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.974 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.541 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.3 OUTLIER -119.7 117.4 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -102.59 109.53 21.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.605 ' HB1' ' OD1' ' A' ' 18' ' ' ASN . . . -83.35 132.09 51.02 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -7.56 19.28 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.605 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 4.8 p30 -79.17 6.13 10.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.15 15.85 55.01 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.598 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -116.22 114.31 24.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 0.739 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.1 116.41 31.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.541 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 7.7 p-80 -138.79 138.32 37.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.558 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.565 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 2.8 t -118.68 134.37 55.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.561 ' O ' ' O ' ' A' ' 12' ' ' VAL . 60.7 t -120.57 132.31 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.14 118.64 24.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 m -123.17 168.41 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.347 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.77 154.14 43.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.363 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.595 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -75.0 -12.43 21.51 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.436 1.756 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 p -108.6 -3.68 17.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.972 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 m -88.73 139.74 30.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.51 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 10.6 t -77.9 132.06 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.491 ' O ' HG22 ' A' ' 35' ' ' VAL . 2.9 mm? -56.94 -21.25 28.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.549 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 1.0 OUTLIER -63.1 -46.38 87.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.51 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -66.18 -39.33 89.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.138 . . . . 0.0 110.29 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.515 ' CG2' ' N ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -72.07 -50.18 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.515 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 13.5 tp -61.35 -38.76 88.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 5.4 mm-40 -65.55 -42.53 91.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.542 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 6.2 m-20 -61.31 -54.16 47.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.582 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 47.2 m -62.45 -35.42 79.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 44' ' ' ASP . 16.5 m -68.28 -36.49 79.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 108.336 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.786 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.95 -48.68 65.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.786 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -75.09 -37.17 61.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.322 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.55 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 1.6 pt20 -91.49 3.49 54.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 40' ' ' CYS . 0.7 OUTLIER 42.21 67.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.802 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.2 m-85 -128.25 159.4 35.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.932 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.418 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 3.5 m120 -122.25 145.05 43.22 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.475 ' CG ' HD12 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.04 -34.92 3.42 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.788 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.498 ' C ' ' O ' ' A' ' 81' ' ' VAL . 7.9 t -65.89 -8.46 22.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.028 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.625 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 21.9 mt-10 -123.58 -0.21 8.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.802 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 23.8 m-85 -146.03 139.36 26.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.668 ' N ' ' O ' ' A' ' 79' ' ' VAL . 5.0 m-20 -131.39 147.58 52.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.798 ' O ' ' N ' ' A' ' 59' ' ' LEU . 8.9 mt -121.59 134.56 55.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 57' ' ' THR . 29.2 ttpt -148.83 143.26 26.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.58 ' CZ ' ' HG3' ' A' ' 71' ' ' PRO . 1.0 OUTLIER -128.47 113.85 16.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 111.009 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.55 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 5.4 mm-40 58.42 -105.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 69.0 mtt85 -110.57 14.61 22.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 54' ' ' PHE . 6.0 m -118.45 132.24 56.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.392 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.412 ' O ' HD13 ' A' ' 63' ' ' LEU . 35.8 m -89.91 140.56 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.798 ' N ' ' O ' ' A' ' 52' ' ' LEU . 3.3 mm? -117.36 119.45 35.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -142.2 -155.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.475 HD12 ' CG ' ' A' ' 47' ' ' PRO . 56.8 mt -90.2 -39.61 12.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 96.4 p -84.6 38.6 0.7 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 109.941 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.412 HD13 ' O ' ' A' ' 58' ' ' VAL . 32.5 mt -144.77 110.55 5.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 68' ' ' ALA . 2.2 mt-30 -92.87 153.73 18.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.595 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 0.7 OUTLIER -63.45 -40.06 96.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 108.004 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.46 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 10.2 ptm180 -56.09 -27.98 55.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.256 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.46 ' CD2' ' HG3' ' A' ' 66' ' ' ARG . 26.0 m-85 -102.1 -60.62 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.943 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -56.43 -17.4 7.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 68' ' ' ALA . 5.6 p30 42.84 94.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.423 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 0.7 OUTLIER -101.19 160.27 27.12 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.613 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -75.02 172.46 16.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.535 1.808 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.599 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -42.1 -82.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.739 ' C ' ' O ' ' A' ' 11' ' ' ALA . 76.2 m-20 -65.26 -1.71 2.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.613 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 27.56 86.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.417 ' C ' ' CD1' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -92.05 119.07 31.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.459 ' CD2' HG13 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -116.29 150.06 38.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -101.35 132.79 46.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.279 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.85 132.9 34.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.668 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -145.99 134.9 11.12 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.846 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.03 133.03 16.06 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.464 1.771 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.846 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 6.2 p 161.76 -155.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.57 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 3.9 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.694 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.31 140.06 24.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.768 ' O ' ' O ' ' A' ' 24' ' ' VAL . 16.6 t -119.0 142.76 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.605 ' N ' ' O ' ' A' ' 74' ' ' ALA . 7.3 t -137.4 127.18 25.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.566 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.48 117.24 53.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.599 HD11 ' HA ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -108.43 120.44 42.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.53 ' CB ' ' OD1' ' A' ' 18' ' ' ASN . . . -87.37 135.72 34.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.112 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.509 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.05 -8.51 20.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.799 . . . . 0.0 110.955 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.53 ' OD1' ' CB ' ' A' ' 16' ' ' ALA . 30.1 p-10 -80.0 0.0 33.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.05 15.99 31.69 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.523 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 11.9 mmt180 -112.22 114.2 26.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 0.721 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.55 123.19 49.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.566 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 9.6 p-80 -139.16 136.79 35.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.624 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 5.4 t -118.87 126.74 52.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.432 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.768 ' O ' ' O ' ' A' ' 12' ' ' VAL . 82.2 t -120.58 138.01 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -103.3 115.52 30.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.356 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.514 ' CG2' HG21 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -129.15 168.42 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.16 154.58 63.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.376 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.537 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.6 Cg_endo -74.94 -12.43 21.64 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.547 1.814 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 p -104.15 -2.0 26.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -88.72 140.41 29.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.428 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.497 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 10.7 m -77.08 128.84 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.513 ' O ' HG21 ' A' ' 35' ' ' VAL . 14.8 mt -56.79 -21.34 27.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.524 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.8 pp -63.42 -45.54 90.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.586 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.85 -38.2 82.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.586 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.8 OUTLIER -72.15 -50.03 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.515 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 12.8 tp -60.79 -37.6 82.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.8 mm-40 -66.03 -43.23 88.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.523 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 9.7 m-20 -63.17 -54.14 42.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.573 ' HA ' ' HD3' ' A' ' 42' ' ' ARG . 25.5 p -59.24 -37.91 78.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.524 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 17.4 m -68.24 -36.61 79.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 108.313 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.555 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -66.41 -48.79 68.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.573 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 0.2 OUTLIER -73.4 -37.12 66.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 110.304 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.54 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 1.7 pt20 -95.46 13.21 26.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.5 ' C ' ' O ' ' A' ' 43' ' ' GLN . 4.0 p-10 33.15 70.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.696 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -128.29 159.24 35.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.055 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.416 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 3.5 t30 -123.46 143.01 40.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' A' ' 50' ' ' TYR . 18.2 Cg_endo -75.05 -35.87 2.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.563 1.822 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.558 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 8.0 t -62.24 -8.69 6.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.57 ' C ' ' O ' ' A' ' 81' ' ' VAL . 2.8 mm-40 -123.82 -6.42 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.696 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 15.9 m-85 -140.03 139.26 35.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.603 ' N ' ' O ' ' A' ' 79' ' ' VAL . 0.8 OUTLIER -131.54 147.51 52.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.362 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.803 ' O ' ' N ' ' A' ' 59' ' ' LEU . 8.8 mt -121.57 133.8 55.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -147.19 139.4 24.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.53 ' CZ ' ' HG3' ' A' ' 71' ' ' PRO . 0.2 OUTLIER -126.03 113.68 17.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.483 ' OE1' ' CE1' ' A' ' 54' ' ' PHE . 67.7 mt-30 57.96 -106.4 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.76 14.89 22.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 1.4 m -120.6 122.29 40.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.365 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.412 ' HA ' ' HG2' ' A' ' 53' ' ' LYS . 3.8 m -82.2 140.43 16.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.803 ' N ' ' O ' ' A' ' 52' ' ' LEU . 3.3 mm? -115.98 119.79 37.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -145.28 -152.71 0.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.498 ' CD2' HD21 ' A' ' 36' ' ' LEU . 96.1 mt -90.19 -19.23 24.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 83.4 p -105.31 39.93 1.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 110.056 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 58' ' ' VAL . 3.3 mm? -138.19 106.09 5.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.8 OUTLIER -94.22 141.81 28.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.277 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.537 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.2 t90 -63.4 -41.26 98.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 107.984 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -58.13 -14.97 7.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.255 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.436 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 19.8 m-85 -116.88 -60.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -59.14 -14.52 10.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 67' ' ' PHE . 4.7 p30 42.33 92.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.59 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 1.7 mp -91.87 164.48 23.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.549 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -75.03 172.13 16.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.599 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -47.27 -78.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.694 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -65.16 -1.89 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.605 ' O ' ' N ' ' A' ' 13' ' ' SER . . . 31.86 83.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.525 ' C ' ' CD1' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -96.03 123.71 39.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.525 ' CD1' ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -121.5 153.86 37.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.599 ' HA ' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -103.09 132.81 49.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.509 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -86.87 132.01 33.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.603 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.2 p -146.12 134.55 10.85 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.084 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.711 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.04 132.98 15.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.776 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.711 ' CG1' ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER 163.02 -161.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.558 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 15.2 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.557 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 55.2 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.739 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.09 143.1 28.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.8 ' O ' ' O ' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -118.76 131.51 71.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.541 ' O ' ' N ' ' A' ' 76' ' ' LEU . 10.0 t -121.74 129.42 52.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.577 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -119.5 117.21 53.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.612 HD13 ' HA ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -106.84 124.14 49.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.508 ' CB ' ' OD1' ' A' ' 18' ' ' ASN . . . -89.31 136.66 29.79 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.477 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.05 -8.25 19.85 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.508 ' OD1' ' CB ' ' A' ' 16' ' ' ALA . 25.4 p30 -79.79 0.65 29.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.91 16.04 34.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.11 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.505 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -112.03 114.28 27.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 110.308 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.4 121.25 44.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.577 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 12.5 p-80 -139.21 135.97 34.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.629 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 3.3 t -118.76 124.91 48.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.8 ' O ' ' O ' ' A' ' 12' ' ' VAL . 58.5 t -120.44 127.34 75.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -77.37 132.41 38.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.472 ' CG2' ' HB ' ' A' ' 12' ' ' VAL . 5.0 m -132.38 168.5 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.13 154.53 37.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 110.373 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.589 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.5 Cg_endo -74.99 -12.25 21.53 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.481 1.78 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.4 p -112.03 -5.84 14.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.028 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 m -88.76 140.37 29.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 110.365 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.481 ' CG2' ' HG ' ' A' ' 33' ' ' LEU . 17.4 m -77.2 129.32 37.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.544 ' O ' HG22 ' A' ' 35' ' ' VAL . 8.6 mt -59.99 -21.39 61.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.538 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.9 pp -62.41 -44.09 97.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.628 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.74 -38.33 83.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.628 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.39 -48.72 46.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.493 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 9.9 tp -62.08 -40.87 97.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.6 mm-40 -64.8 -42.04 95.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.539 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 19.3 m-20 -63.81 -54.24 38.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.592 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 89.6 m -58.48 -34.48 70.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.418 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.578 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 14.5 m -68.11 -36.52 79.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 108.278 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.558 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.78 -48.79 65.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.592 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -74.83 -37.44 62.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.313 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.578 ' HG2' ' HA ' ' A' ' 40' ' ' CYS . 4.0 pt20 -93.88 8.02 42.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 110.34 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 40' ' ' CYS . 3.4 p-10 37.08 67.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.574 ' HB2' ' CG ' ' A' ' 43' ' ' GLN . 1.1 m-85 -126.88 159.3 34.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 111.03 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.434 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 7.0 m-20 -122.99 141.77 36.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.423 ' O ' ' O ' ' A' ' 50' ' ' TYR . 18.1 Cg_endo -75.09 -35.83 2.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.493 1.786 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 5.6 t -64.24 -8.54 12.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.587 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 2.0 mm-40 -123.98 -3.54 8.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.653 ' CD1' ' CE ' ' A' ' 78' ' ' MET . 22.5 m-85 -142.07 139.55 32.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.624 ' N ' ' O ' ' A' ' 79' ' ' VAL . 18.5 m-20 -131.36 147.58 52.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.8 ' O ' ' N ' ' A' ' 59' ' ' LEU . 9.3 mt -121.55 133.83 55.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 57' ' ' THR . 21.5 ttpt -149.0 143.13 25.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 57' ' ' THR . 0.4 OUTLIER -127.63 113.84 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.99 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.493 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 19.5 tt0 58.45 -105.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.493 ' N ' ' HG2' ' A' ' 55' ' ' GLN . 62.0 mtt85 -110.6 14.8 22.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 54' ' ' PHE . 5.3 m -118.54 130.54 55.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.382 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.46 ' O ' HD13 ' A' ' 63' ' ' LEU . 29.8 m -90.13 140.59 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.8 ' N ' ' O ' ' A' ' 52' ' ' LEU . 3.3 mm? -118.28 119.15 33.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.403 ' N ' HD12 ' A' ' 63' ' ' LEU . 3.4 t70 -142.71 -153.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.403 ' O ' ' HB3' ' A' ' 33' ' ' LEU . 4.1 mt -90.19 -41.43 11.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.4 ' O ' HD21 ' A' ' 63' ' ' LEU . 75.1 p -83.73 38.32 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.022 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 58' ' ' VAL . 22.8 mt -145.84 107.31 4.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.464 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 24.8 mp0 -92.94 157.63 16.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.589 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.1 t90 -63.51 -40.47 97.14 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.425 ' HD2' ' CE2' ' A' ' 67' ' ' PHE . 4.1 ptp85 -56.14 -16.17 4.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.313 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.425 ' CE2' ' HD2' ' A' ' 66' ' ' ARG . 28.2 m-85 -115.06 -60.51 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.445 ' C ' ' ND2' ' A' ' 69' ' ' ASN . . . -57.03 -18.36 13.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.445 ' ND2' ' C ' ' A' ' 68' ' ' ALA . 5.3 p30 41.73 92.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.485 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 0.3 OUTLIER -100.3 157.97 32.83 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.616 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -75.03 172.52 16.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.471 1.774 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.668 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -35.42 -90.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.739 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -64.13 -1.91 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.616 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 28.61 89.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.458 ' C ' ' CD1' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -90.17 120.1 31.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.541 ' N ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -115.69 153.12 31.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 0.0 109.265 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.612 ' HA ' HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -102.07 130.27 48.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.653 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -88.02 132.3 34.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.624 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.8 p -146.19 136.95 12.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.731 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -74.95 133.0 16.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.471 1.774 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.731 ' CG1' ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER 162.81 -163.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 65.7 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.77 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.27 141.62 26.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.733 ' O ' ' O ' ' A' ' 24' ' ' VAL . 2.5 t -119.0 140.51 42.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 74' ' ' ALA . 8.1 t -133.81 128.44 34.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.971 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.478 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -119.78 117.45 53.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.345 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.554 ' CD2' ' C ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -107.01 119.99 40.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.492 ' HB1' ' O ' ' A' ' 20' ' ' ARG . . . -86.35 136.11 35.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.152 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.483 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.0 -8.57 20.19 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.487 ' OD1' ' CB ' ' A' ' 16' ' ' ALA . 29.3 p30 -80.1 1.05 29.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.65 16.13 34.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.492 ' O ' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -110.3 114.2 27.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.46 119.2 38.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.478 ' O ' ' O ' ' A' ' 14' ' ' VAL . 11.5 p-80 -139.27 138.28 36.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.571 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 5.6 t -118.83 127.64 53.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.384 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.733 ' O ' ' O ' ' A' ' 12' ' ' VAL . 89.0 t -120.41 132.38 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -97.72 114.39 26.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.489 ' CG2' HG22 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -124.14 168.35 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.33 154.44 62.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.43 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.574 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -74.94 -12.31 21.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.781 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 p -105.32 -4.42 21.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.435 ' CG2' ' HG2' ' A' ' 34' ' ' GLN . 4.6 m -88.77 140.43 29.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.492 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 11.7 t -77.21 137.26 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.528 ' O ' HG22 ' A' ' 35' ' ' VAL . 1.6 mt -62.98 -21.43 66.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 1.4 pp -62.52 -43.37 98.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.516 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.84 -39.54 83.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -72.21 -49.84 40.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.51 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 28.3 tp -59.0 -41.27 87.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 7.3 mm-40 -65.85 -44.28 85.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.57 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -61.75 -54.24 45.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.566 ' HA ' ' HD3' ' A' ' 42' ' ' ARG . 74.4 p -62.6 -35.06 78.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.385 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 44' ' ' ASP . 16.5 m -68.15 -36.62 79.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 108.321 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.564 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -65.49 -48.72 71.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.57 ' CD ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -74.9 -37.04 62.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.538 ' CG ' ' HB2' ' A' ' 45' ' ' PHE . 1.1 pt20 -91.66 6.31 46.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 40' ' ' CYS . 0.7 OUTLIER 38.95 68.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.784 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 m-85 -129.92 159.22 37.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.436 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 2.8 m-20 -121.86 143.02 37.5 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.434 ' CB ' HD13 ' A' ' 61' ' ' LEU . 18.5 Cg_endo -75.0 -35.63 3.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.524 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 10.8 t -64.45 -8.6 14.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.602 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 45.3 mm-40 -123.89 -2.49 8.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.784 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 19.4 m-85 -142.52 139.63 31.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.652 ' N ' ' O ' ' A' ' 79' ' ' VAL . 1.0 OUTLIER -131.32 147.74 52.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.782 ' O ' ' N ' ' A' ' 59' ' ' LEU . 0.4 OUTLIER -121.5 133.92 55.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 57' ' ' THR . 0.7 OUTLIER -147.68 142.97 27.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.525 ' CD2' ' HB ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -129.76 113.64 14.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 55.45 -104.7 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.284 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.8 14.96 22.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.272 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.525 ' HB ' ' CD2' ' A' ' 54' ' ' PHE . 4.5 m -120.19 122.01 40.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.414 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.498 ' O ' HD12 ' A' ' 63' ' ' LEU . 34.6 m -84.37 140.65 15.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.782 ' N ' ' O ' ' A' ' 52' ' ' LEU . 2.2 mm? -116.13 118.6 33.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.421 ' N ' HD11 ' A' ' 63' ' ' LEU . 11.2 t0 -140.44 -154.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.476 HD23 ' CD2' ' A' ' 36' ' ' LEU . 16.8 mt -90.43 -42.77 10.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.407 ' O ' HD21 ' A' ' 63' ' ' LEU . 78.4 p -85.09 40.68 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.029 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 58' ' ' VAL . 40.4 mt -143.52 105.23 4.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.463 ' HG3' ' CG1' ' A' ' 31' ' ' VAL . 5.4 mp0 -88.11 150.91 23.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.638 ' CE3' ' HB2' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -63.44 -40.34 96.9 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.15 -17.21 6.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -110.12 -62.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -56.94 -17.5 9.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 69' ' ' ASN . 8.4 p-10 42.21 93.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.638 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 0.2 OUTLIER -92.36 159.1 37.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.597 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.5 Cg_endo -74.95 172.46 16.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.521 1.8 . . . . 0.0 111.029 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.634 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -35.93 -91.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.77 ' C ' ' O ' ' A' ' 11' ' ' ALA . 16.1 m-20 -62.74 -1.93 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.597 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 30.72 86.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.496 ' C ' ' CD1' ' A' ' 76' ' ' LEU . 4.2 pttt -95.44 121.18 36.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.546 ' CD1' ' N ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -117.86 154.1 32.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.547 ' HA ' ' CD1' ' A' ' 15' ' ' LEU . 2.6 pt-20 -101.73 135.19 43.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.68 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -89.62 133.71 34.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.652 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.4 p -146.09 136.22 11.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.69 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.97 133.02 16.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.69 ' CG1' ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER 164.28 -163.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.524 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 61.5 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.564 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 74.3 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.735 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -142.37 152.67 43.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.719 ' O ' ' O ' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -118.65 140.43 42.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.663 ' O ' ' N ' ' A' ' 76' ' ' LEU . 12.1 t -130.54 129.16 42.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.034 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.574 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -119.47 117.32 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -106.25 119.27 38.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' A' ' 20' ' ' ARG . . . -85.2 134.5 40.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.4 Cg_endo -74.97 -8.4 20.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -80.08 1.81 26.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.3 15.81 36.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.535 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 12.8 mmt-85 -112.84 114.3 26.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.405 ' HG2' ' HB2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -110.34 121.93 46.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 12.1 p-80 -139.24 136.79 35.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.612 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 4.9 t -118.81 125.58 49.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.385 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.719 ' O ' ' O ' ' A' ' 12' ' ' VAL . 87.1 t -120.56 127.43 75.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.427 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 17.6 pttp -81.95 113.26 19.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.442 HG22 ' CG2' ' A' ' 12' ' ' VAL . 2.5 m -114.19 168.39 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -99.59 154.06 37.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.421 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.592 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.4 Cg_endo -74.96 -12.35 21.59 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 p -111.5 -2.53 15.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.021 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.8 140.22 29.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.422 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.526 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 4.2 m -77.11 128.6 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.481 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -56.86 -21.43 29.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.2 pp -63.2 -43.46 98.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.368 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.79 -39.89 83.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.512 ' CG2' ' N ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -72.06 -49.9 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.512 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 4.9 tt -58.79 -44.88 90.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.3 mm-40 -67.2 -42.16 84.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.278 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.602 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -61.5 -54.46 42.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.546 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 2.8 t -60.82 -34.39 74.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 110.407 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.613 ' O ' ' N ' ' A' ' 44' ' ' ASP . 8.8 m -68.3 -36.56 79.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 108.309 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.567 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -64.71 -48.74 73.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.602 ' CD ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -72.74 -36.26 67.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.56 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 1.4 pt20 -98.55 13.36 32.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.613 ' N ' ' O ' ' A' ' 40' ' ' CYS . 7.6 p-10 32.66 69.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.689 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 0.9 OUTLIER -127.59 159.47 34.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.2 m-20 -121.19 143.42 37.2 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.489 ' CB ' HD13 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -75.0 -35.7 2.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.455 1.766 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.497 ' C ' ' O ' ' A' ' 81' ' ' VAL . 10.2 t -64.47 -8.53 13.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.628 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 16.9 mt-10 -123.48 -2.52 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.689 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 22.9 m-85 -143.62 139.26 29.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.664 ' N ' ' O ' ' A' ' 79' ' ' VAL . 3.9 m-20 -131.4 147.65 52.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.807 ' O ' ' N ' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -121.43 133.84 55.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 57' ' ' THR . 0.5 OUTLIER -149.02 143.15 25.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 57' ' ' THR . 0.9 OUTLIER -124.47 113.64 18.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.43 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 10.6 tt0 56.97 -103.44 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.43 ' N ' ' HG2' ' A' ' 55' ' ' GLN . 9.6 mtt180 -110.64 14.53 22.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.529 ' O ' ' N ' ' A' ' 54' ' ' PHE . 16.7 m -117.16 135.84 53.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.445 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.501 ' O ' HD12 ' A' ' 63' ' ' LEU . 35.4 m -94.5 140.71 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.807 ' N ' ' O ' ' A' ' 52' ' ' LEU . 4.3 mm? -119.59 118.0 29.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.42 ' N ' HD11 ' A' ' 63' ' ' LEU . 9.3 t0 -140.68 -152.6 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.489 HD13 ' CB ' ' A' ' 47' ' ' PRO . 1.2 mt -90.16 -42.53 11.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.8 p -84.91 40.28 0.8 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.997 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 58' ' ' VAL . 33.7 mt -144.35 98.79 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.45 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -85.78 155.69 20.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.592 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.3 t90 -63.41 -42.64 98.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 107.989 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -56.11 -15.99 4.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -111.62 -62.11 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -60.99 -14.8 25.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 69' ' ' ASN . 8.0 p-10 41.65 92.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.494 HD22 ' CG ' ' A' ' 65' ' ' TRP . 0.3 OUTLIER -95.08 157.4 36.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.645 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.99 172.49 16.27 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.648 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -38.99 -85.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.735 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.9 OUTLIER -64.32 -1.89 1.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.645 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 28.36 82.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.478 ' C ' ' CD1' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -88.66 123.41 33.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.663 ' N ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -118.13 154.12 32.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.611 ' HA ' HD12 ' A' ' 15' ' ' LEU . 2.3 mt-10 -102.77 133.01 48.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.429 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -86.19 130.58 34.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 110.994 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.664 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -146.17 132.06 9.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.817 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.03 132.96 15.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.452 1.764 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.817 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 6.3 p 163.26 -155.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.569 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 2.5 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.492 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 26.3 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.734 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -146.95 144.85 29.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.608 ' O ' ' O ' ' A' ' 24' ' ' VAL . 1.2 t -118.88 144.92 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 7.3 t -130.58 136.86 49.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.03 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.549 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.4 OUTLIER -119.83 117.5 53.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -103.53 109.66 21.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.61 ' CB ' ' O ' ' A' ' 20' ' ' ARG . . . -82.81 130.87 56.28 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.07 -8.07 19.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.53 1.805 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.507 ' C ' ' OD1' ' A' ' 18' ' ' ASN . 35.8 p30 -79.58 2.46 22.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.1 15.8 40.55 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.025 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.61 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -113.72 114.29 26.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 110.325 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -110.39 116.11 30.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.549 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 12.6 p-80 -139.11 138.67 37.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.563 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.544 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 3.5 t -118.74 132.08 56.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.372 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.608 ' O ' ' O ' ' A' ' 12' ' ' VAL . 79.2 t -120.44 126.39 75.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -83.75 118.09 23.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 m -122.11 168.45 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.45 154.25 46.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.601 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.2 Cg_endo -74.98 -12.38 21.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.433 1.754 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.3 p -109.81 -1.49 17.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.982 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -88.75 140.09 29.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.401 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.521 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 3.4 m -77.4 129.71 37.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.487 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -57.42 -21.31 35.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.537 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.6 pp -63.06 -45.45 92.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.71 -39.02 84.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.52 ' CG2' ' N ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -72.08 -50.26 38.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 14.1 tp -61.71 -41.55 97.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.537 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 13.0 mm-40 -67.14 -38.15 85.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.571 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 1.5 m-20 -66.74 -54.25 24.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.579 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 5.2 t -62.72 -34.5 77.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.368 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.594 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 20.1 m -68.33 -36.65 79.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 108.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.564 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -66.34 -48.75 69.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.579 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -73.74 -36.46 65.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.594 ' HG2' ' HA ' ' A' ' 40' ' ' CYS . 2.7 pt20 -93.75 13.13 23.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.486 ' C ' ' O ' ' A' ' 43' ' ' GLN . 4.2 p-10 33.75 69.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.703 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -130.06 159.23 37.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.977 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.431 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.6 m120 -124.47 145.22 48.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.17 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.461 ' CG ' HD12 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -74.97 -35.92 2.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.523 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 13.3 t -64.55 -8.57 14.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.966 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.592 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.5 mt-10 -124.0 -2.57 8.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.703 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 23.4 m-85 -143.39 139.5 30.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.732 ' N ' ' O ' ' A' ' 79' ' ' VAL . 1.2 m-20 -131.27 147.41 52.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.755 ' O ' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -121.6 136.1 54.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.421 ' HG2' ' HA ' ' A' ' 58' ' ' VAL . 1.1 tmmm? -148.7 137.42 21.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -127.94 113.76 16.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.944 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 38.1 tt0 60.65 -109.08 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.422 ' N ' ' HG2' ' A' ' 55' ' ' GLN . 7.7 mtp180 -110.73 14.89 22.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.404 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 3.1 m -120.55 127.83 52.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.441 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.432 ' C ' HD23 ' A' ' 59' ' ' LEU . 4.2 m -81.79 140.32 16.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.755 ' N ' ' O ' ' A' ' 52' ' ' LEU . 3.8 mm? -115.37 118.33 32.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.478 ' HB3' ' CD2' ' A' ' 63' ' ' LEU . 1.4 t70 -145.76 -147.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.461 HD12 ' CG ' ' A' ' 47' ' ' PRO . 9.5 mt -90.25 -40.24 12.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.9 p -88.19 41.44 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.033 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 60' ' ' ASP . 2.9 mm? -135.63 93.58 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.7 OUTLIER -84.39 145.01 28.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.246 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.601 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.0 OUTLIER -63.51 -40.35 96.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 107.96 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.466 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 3.5 ptt180 -56.62 -17.19 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.466 ' CD2' ' HG3' ' A' ' 66' ' ' ARG . 23.0 m-85 -115.98 -60.97 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -55.64 -17.74 6.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 68' ' ' ALA . 5.7 p30 42.82 94.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.509 ' CD2' HD12 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -99.14 160.65 27.1 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.579 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -75.0 172.43 16.38 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.789 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.588 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -40.59 -85.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.734 ' C ' ' O ' ' A' ' 11' ' ' ALA . 1.0 OUTLIER -64.46 -1.71 1.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.579 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 27.01 83.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.451 ' C ' ' CD1' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -90.68 120.54 31.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.511 ' CD1' ' N ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -115.61 152.37 33.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.434 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 1.8 mt-10 -101.41 133.0 46.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.55 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -90.69 134.02 34.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.732 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.3 p -146.1 134.72 10.96 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.799 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.1 Cg_endo -75.07 133.04 16.01 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.466 1.772 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.799 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 6.2 p 165.15 -166.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.549 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 8.1 t -122.54 100.08 6.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.022 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER 51.46 173.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.06 150.69 35.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.96 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.417 ' OG ' ' HD3' ' A' ' 28' ' ' PRO . 95.6 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.73 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.26 146.99 29.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.62 ' O ' ' O ' ' A' ' 24' ' ' VAL . 0.8 OUTLIER -118.74 137.1 53.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.143 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 4.7 t -120.61 135.31 55.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.491 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.82 117.44 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -104.02 109.7 21.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.615 ' CB ' ' O ' ' A' ' 20' ' ' ARG . . . -80.82 131.7 59.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.06 -8.01 19.62 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 20' ' ' ARG . 50.6 p30 -79.64 2.74 21.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.74 15.87 41.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.615 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -114.61 114.49 25.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 110.273 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -110.23 116.15 30.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.491 ' O ' ' O ' ' A' ' 14' ' ' VAL . 11.9 p-80 -139.13 138.84 37.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.587 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.484 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 3.5 t -118.02 131.7 56.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 110.389 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.62 ' O ' ' O ' ' A' ' 12' ' ' VAL . 73.3 t -120.33 126.81 75.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -86.6 121.19 28.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.6 m -125.17 168.52 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.52 154.23 56.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.57 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -75.02 -12.45 21.47 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.487 1.783 . . . . 0.0 110.956 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.3 p -108.57 -4.74 16.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.969 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.462 ' CG2' ' HG2' ' A' ' 34' ' ' GLN . 1.4 m -87.83 139.63 30.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.423 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.502 HG12 ' CG ' ' A' ' 33' ' ' LEU . 17.1 t -77.98 133.33 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.491 ' O ' HG21 ' A' ' 35' ' ' VAL . 1.1 mt -56.93 -21.28 28.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.533 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 1.2 pp -62.88 -44.84 95.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.23 -39.27 86.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.287 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.506 ' CG2' ' N ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -72.06 -49.48 43.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.506 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 4.0 tt -60.93 -41.67 96.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 12.2 mm-40 -63.51 -43.23 97.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.591 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 4.6 m-20 -60.92 -54.16 48.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.572 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 44.9 m -62.72 -34.58 77.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.408 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.535 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 10.5 m -68.34 -36.56 79.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 108.301 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.565 ' HG2' ' N ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -67.4 -48.88 66.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.591 ' CD ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -75.21 -37.37 61.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.258 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.566 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 2.4 pt20 -92.38 5.92 48.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 40' ' ' CYS . 5.2 p-10 39.83 67.16 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.817 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 m-85 -127.35 159.4 34.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.463 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -121.17 144.22 39.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 50' ' ' TYR . 18.2 Cg_endo -75.02 -36.26 2.64 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.529 ' C ' ' O ' ' A' ' 81' ' ' VAL . 10.9 t -65.29 -8.68 19.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.619 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 2.5 mm-40 -123.7 1.46 8.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.817 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 18.3 m-85 -146.0 139.47 26.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.625 ' N ' ' O ' ' A' ' 79' ' ' VAL . 6.5 m-20 -131.32 147.24 52.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.782 ' O ' ' N ' ' A' ' 59' ' ' LEU . 1.3 mm? -121.86 136.29 54.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 11.1 ttpt -148.85 139.59 22.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.356 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CE2' ' HD3' ' A' ' 71' ' ' PRO . 0.2 OUTLIER -122.94 113.79 19.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.475 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 34.1 tt0 56.56 -104.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.475 ' N ' ' HG2' ' A' ' 55' ' ' GLN . 8.3 mtp180 -110.8 14.34 22.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.554 ' O ' ' N ' ' A' ' 54' ' ' PHE . 3.4 m -117.93 132.03 56.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.448 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.436 ' O ' HD13 ' A' ' 63' ' ' LEU . 27.4 m -90.31 140.57 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.782 ' N ' ' O ' ' A' ' 52' ' ' LEU . 4.1 mm? -117.36 118.17 31.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.413 ' N ' HD12 ' A' ' 63' ' ' LEU . 8.1 t0 -138.18 -153.61 0.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.489 ' CD2' HD22 ' A' ' 36' ' ' LEU . 5.1 mt -90.31 -42.38 10.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.4 p -85.91 40.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.451 ' O ' ' CD1' ' A' ' 32' ' ' LEU . 44.0 mt -143.21 110.85 5.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.422 ' OE1' ' CD2' ' A' ' 67' ' ' PHE . 13.7 mp0 -94.13 156.14 16.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.585 ' CE3' HD11 ' A' ' 70' ' ' LEU . 0.7 OUTLIER -63.37 -38.71 92.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 107.995 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.514 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 17.0 ptt180 -56.12 -27.99 56.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.514 ' CD2' ' HG3' ' A' ' 66' ' ' ARG . 30.5 m-85 -100.9 -55.65 2.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -59.26 -19.94 50.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.46 ' O ' ' O ' ' A' ' 68' ' ' ALA . 5.3 p30 40.79 93.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.585 HD11 ' CE3' ' A' ' 65' ' ' TRP . 5.9 mt -104.93 158.14 32.67 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.582 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -75.01 172.6 16.04 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.497 1.788 . . . . 0.0 111.021 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.627 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -35.84 -90.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.73 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -63.88 -1.93 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.59 ' C ' ' O ' ' A' ' 73' ' ' ASN . . . 24.35 88.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.428 ' HA ' ' HB3' ' A' ' 13' ' ' SER . 0.0 OUTLIER -85.94 122.18 29.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.49 HD23 ' CD2' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -122.1 153.82 38.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -103.98 144.31 31.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.503 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -99.23 134.47 42.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.625 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.5 p -145.88 136.03 11.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.842 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.98 133.1 16.21 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.842 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 6.6 p 162.04 -154.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.565 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 9.1 p -130.42 175.16 9.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.042 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? -44.3 -57.21 3.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.94 149.35 17.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.009 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.2 mtt85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.6 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 31.7 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.707 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.23 143.12 27.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.615 ' O ' ' O ' ' A' ' 24' ' ' VAL . 1.1 t -118.68 137.48 52.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.53 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 19.5 t -123.76 135.84 54.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.527 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.92 117.47 53.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pp -102.55 109.58 21.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.619 ' CB ' ' O ' ' A' ' 20' ' ' ARG . . . -81.58 131.07 59.12 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.99 -8.14 19.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.43 ' OD1' ' C ' ' A' ' 18' ' ' ASN . 18.5 p30 -79.67 3.5 18.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.91 15.75 44.32 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.446 1.091 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.619 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 1.5 mmt180 -114.04 114.39 26.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.25 116.01 30.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.527 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 14.8 p-80 -139.19 138.6 37.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.581 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 0.5 OUTLIER -118.77 131.94 56.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.345 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.615 ' O ' ' O ' ' A' ' 12' ' ' VAL . 73.6 t -120.31 123.51 70.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.44 111.37 14.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 m -112.22 168.42 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.463 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -96.23 154.28 38.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.363 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.599 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -75.01 -12.72 21.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.778 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 p -110.91 -5.51 14.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.972 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.6 m -87.94 140.15 29.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.439 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.529 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 6.0 m -77.38 127.48 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 35' ' ' VAL . 5.8 mt -56.91 -21.43 29.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.5 pp -64.08 -45.15 90.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.61 -38.96 84.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.513 ' CG2' ' N ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -72.03 -50.05 39.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.513 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 16.5 tp -60.01 -39.4 85.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 6.8 mm-40 -64.68 -44.03 91.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.523 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 5.3 m-20 -60.11 -54.18 48.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.591 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 64.0 m -62.11 -34.85 77.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.413 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.514 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 17.2 m -68.17 -36.62 79.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 108.327 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.565 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 2.6 ptt180 -68.02 -48.88 64.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.591 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.3 OUTLIER -74.93 -37.26 62.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.555 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 1.8 pt20 -90.76 3.47 54.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 40' ' ' CYS . 3.0 p-10 42.72 66.66 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.799 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.2 m-85 -128.02 159.28 35.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.5 m-20 -123.13 144.32 43.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.451 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -74.99 -35.26 3.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.524 ' C ' ' O ' ' A' ' 81' ' ' VAL . 30.0 t -66.47 -8.35 25.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.634 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.4 mm-40 -123.35 1.36 9.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.799 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 17.5 m-85 -146.65 139.17 25.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.67 ' N ' ' O ' ' A' ' 79' ' ' VAL . 4.0 m-20 -131.58 147.68 52.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.761 ' O ' ' N ' ' A' ' 59' ' ' LEU . 10.3 mt -121.47 133.92 55.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 57' ' ' THR . 3.7 tmmm? -147.89 138.73 23.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.43 ' CE1' ' HG3' ' A' ' 55' ' ' GLN . 4.1 t80 -124.71 113.7 18.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.43 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 9.7 mt-30 59.63 -107.3 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.351 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.2 mmp_? -110.88 14.98 22.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.451 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 2.7 m -120.96 120.95 36.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.424 ' O ' HD12 ' A' ' 63' ' ' LEU . 27.0 m -81.97 140.68 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.761 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -119.4 125.12 48.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -142.07 -149.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.451 HD11 ' CG ' ' A' ' 47' ' ' PRO . 96.0 mt -90.21 -40.38 12.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.5 p -85.63 38.27 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 58' ' ' VAL . 31.6 mt -142.07 107.71 5.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.464 ' HG3' ' CG1' ' A' ' 31' ' ' VAL . 19.2 mp0 -93.99 157.26 16.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.6 ' CH2' ' HB3' ' A' ' 10' ' ' SER . 1.2 t90 -63.36 -43.06 98.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 108.019 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -56.2 -15.89 4.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -111.53 -61.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -60.4 -17.73 45.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.459 ' O ' ' O ' ' A' ' 68' ' ' ALA . 8.1 p-10 42.5 95.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.468 HD23 ' CD2' ' A' ' 59' ' ' LEU . 5.8 mt -102.78 157.74 33.13 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.572 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -75.0 172.46 16.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.788 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.646 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -37.76 -87.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.707 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -63.69 -1.94 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.608 ' C ' ' O ' ' A' ' 73' ' ' ASN . . . 22.33 90.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.501 ' C ' ' CD1' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -93.42 121.0 34.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.544 ' CD1' ' N ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -116.82 153.21 32.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -101.93 132.76 47.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.489 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -88.89 135.43 33.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.953 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.67 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.1 m -146.06 135.99 11.82 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.853 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.99 132.99 16.06 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.526 1.803 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.853 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 6.8 p 160.79 -154.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.565 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 10.1 p -130.51 174.75 9.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -39.37 129.18 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.97 159.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.027 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.599 ' OG ' ' CZ2' ' A' ' 65' ' ' TRP . 1.8 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.685 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.23 141.91 26.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.585 ' O ' ' O ' ' A' ' 24' ' ' VAL . 1.2 t -118.75 143.76 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.535 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 30.0 t -129.76 135.75 48.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.988 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.474 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.73 117.48 53.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -103.79 109.78 21.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.624 ' CB ' ' O ' ' A' ' 20' ' ' ARG . . . -82.54 130.82 57.27 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.05 -8.16 19.77 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.52 ' OD1' ' HB2' ' A' ' 20' ' ' ARG . 40.8 p30 -79.71 1.47 26.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.24 15.92 36.79 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.624 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 7.7 mmp_? -113.97 114.49 26.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.15 115.97 30.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.474 ' O ' ' O ' ' A' ' 14' ' ' VAL . 11.9 p-80 -139.26 138.68 36.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.562 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 4.7 t -118.79 132.71 56.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.372 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.585 ' O ' ' O ' ' A' ' 12' ' ' VAL . 53.6 t -120.61 128.63 76.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.234 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.99 116.73 23.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.5 m -119.49 168.41 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.24 154.22 43.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.46 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.606 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.2 Cg_endo -74.99 -12.7 21.53 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.487 1.783 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 p -111.03 -3.2 15.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.412 HG22 ' CG1' ' A' ' 35' ' ' VAL . 1.3 m -88.74 140.06 29.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.475 ' CG2' ' HG ' ' A' ' 33' ' ' LEU . 13.3 m -77.24 127.34 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.549 ' O ' HG22 ' A' ' 35' ' ' VAL . 65.3 mt -56.93 -21.22 28.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.503 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.8 pp -63.02 -45.59 91.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.613 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.75 -37.84 82.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.613 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.3 -48.09 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.483 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 19.5 tp -62.78 -37.64 87.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 5.7 mm-40 -65.97 -43.46 87.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.489 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 1.4 m-20 -62.36 -53.98 47.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.575 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 6.2 m -59.84 -36.67 77.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.407 1.067 . . . . 0.0 110.412 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.518 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 16.5 m -68.21 -36.69 79.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 108.309 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.563 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -68.04 -48.96 64.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.107 . . . . 0.0 110.321 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.575 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.3 OUTLIER -74.99 -37.29 61.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.567 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 1.5 pt20 -90.77 3.22 54.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' CYS . 1.3 p30 42.68 66.2 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.795 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.2 m-85 -127.36 159.2 35.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.447 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 4.8 t30 -122.77 143.98 41.56 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 50' ' ' TYR . 18.3 Cg_endo -75.02 -35.86 2.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.514 ' C ' ' O ' ' A' ' 81' ' ' VAL . 47.7 t -65.39 -8.33 18.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.634 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 2.6 mm-40 -123.58 -0.09 8.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.27 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.795 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 15.0 m-85 -145.95 139.34 26.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.679 ' N ' ' O ' ' A' ' 79' ' ' VAL . 6.5 m-20 -131.42 147.58 52.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.741 ' O ' ' N ' ' A' ' 59' ' ' LEU . 4.5 mp -121.54 136.96 54.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.444 ' HG2' ' HA ' ' A' ' 58' ' ' VAL . 3.1 tmmm? -149.05 143.23 25.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.482 ' HB3' ' CD2' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -134.3 113.71 12.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.462 ' CG ' ' N ' ' A' ' 56' ' ' ARG . 3.7 tp60 58.95 -108.04 0.38 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.462 ' N ' ' CG ' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -110.72 14.93 22.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.137 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.406 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 3.0 m -120.57 126.62 50.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.406 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.444 ' HA ' ' HG2' ' A' ' 53' ' ' LYS . 4.3 m -83.79 140.36 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.741 ' N ' ' O ' ' A' ' 52' ' ' LEU . 4.3 mm? -113.55 117.14 30.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.473 ' HB3' ' CD2' ' A' ' 63' ' ' LEU . 3.4 t0 -144.36 -148.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.425 HD13 ' CG ' ' A' ' 47' ' ' PRO . 16.6 mt -90.1 -38.14 13.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.9 p -88.7 39.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 60' ' ' ASP . 3.0 mm? -135.95 102.2 4.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 68' ' ' ALA . 22.5 mp0 -93.93 147.93 22.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.606 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.1 t90 -63.31 -42.99 99.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -57.28 -15.85 7.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -112.85 -63.58 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -58.54 -13.97 6.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.428 ' ND2' ' C ' ' A' ' 68' ' ' ALA . 5.3 p30 40.7 90.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.46 ' CD1' HD13 ' A' ' 59' ' ' LEU . 54.7 mt -95.47 161.26 28.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.626 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -75.03 172.45 16.34 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.59 1.837 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.581 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -45.34 -76.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.685 ' C ' ' O ' ' A' ' 11' ' ' ALA . 1.6 m-20 -68.13 -1.82 6.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.626 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 24.05 84.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.488 ' C ' ' CD1' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -90.86 122.68 33.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.488 ' CD1' ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -121.07 149.5 42.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -101.67 135.17 43.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.429 ' HE2' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -90.92 136.39 33.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.679 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -146.1 136.45 12.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.868 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.03 132.98 15.99 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.868 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 6.3 p 159.87 -153.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.558 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 77.8 p -129.33 177.05 7.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 82' ' ' SER . 0.4 OUTLIER -35.6 -59.92 0.54 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 85' ' ' ARG . 0.2 OUTLIER 65.48 82.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.023 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 84' ' ' SER . 1.4 mmp_? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.269 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.634 ' OG ' ' CZ2' ' A' ' 65' ' ' TRP . 1.4 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.629 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.12 140.96 25.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.643 ' O ' ' O ' ' A' ' 24' ' ' VAL . 1.2 t -118.82 132.32 69.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.536 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 11.3 t -122.05 135.23 54.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.961 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.556 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.64 117.31 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.256 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pp -102.23 109.65 21.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.623 ' CB ' ' O ' ' A' ' 20' ' ' ARG . . . -82.77 131.25 55.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.02 -8.33 19.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.791 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.585 ' OD1' ' CB ' ' A' ' 16' ' ' ALA . 1.1 p-10 -79.86 6.03 12.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.97 15.89 52.79 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.623 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 3.5 mmt-85 -113.7 114.44 26.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.774 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.3 115.98 30.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.556 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 9.1 p-80 -139.26 138.61 36.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.605 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.536 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 4.5 t -118.84 132.95 56.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.403 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.643 ' O ' ' O ' ' A' ' 12' ' ' VAL . 77.8 t -120.48 124.38 72.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.17 113.03 19.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.407 1.067 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 m -117.49 168.52 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.28 154.33 46.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.557 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -74.98 -12.3 21.54 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.474 1.776 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 p -109.6 -2.33 17.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.027 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -87.56 140.38 29.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.409 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.446 ' CG1' ' HG2' ' A' ' 64' ' ' GLN . 11.9 m -77.08 126.94 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.589 ' O ' HG21 ' A' ' 35' ' ' VAL . 4.2 mt -56.7 -21.45 27.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.524 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.3 pp -64.14 -44.06 93.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.654 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.89 -37.25 81.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.654 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.46 -50.22 36.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 13.5 tp -60.48 -39.52 87.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 5.2 mm-40 -65.43 -44.44 87.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.33 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.562 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 1.2 m-20 -59.85 -54.1 50.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.586 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 13.0 p -63.1 -35.23 79.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.391 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.535 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 15.4 m -68.14 -36.64 80.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.321 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.567 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -67.97 -48.8 64.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.586 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -75.12 -37.38 61.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.552 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 2.9 pt20 -91.43 4.51 52.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 40' ' ' CYS . 3.5 p-10 41.4 66.95 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.818 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.2 m-85 -127.77 159.35 35.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.439 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 2.2 m-20 -122.53 145.41 44.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.478 ' CB ' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.07 -35.13 3.27 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.543 1.812 . . . . 0.0 111.035 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.536 ' C ' ' O ' ' A' ' 81' ' ' VAL . 10.2 t -66.28 -8.4 24.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.636 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.6 mt-10 -123.56 0.68 8.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.818 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 18.7 m-85 -147.47 139.48 24.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' A' ' 79' ' ' VAL . 7.0 m-20 -131.33 147.7 52.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.79 ' O ' ' N ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -121.37 134.0 55.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 57' ' ' THR . 3.9 tmmm? -147.09 142.83 27.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.535 ' CE2' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -130.14 113.65 14.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 56.78 -105.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.88 14.84 22.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.435 ' HB ' ' CD2' ' A' ' 54' ' ' PHE . 5.8 m -120.46 123.01 41.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.454 ' O ' HD13 ' A' ' 63' ' ' LEU . 29.2 m -82.9 140.66 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.79 ' N ' ' O ' ' A' ' 52' ' ' LEU . 4.0 mm? -115.86 117.63 30.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.401 ' N ' HD12 ' A' ' 63' ' ' LEU . 7.7 t0 -139.17 -154.14 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.478 HD11 ' CB ' ' A' ' 47' ' ' PRO . 51.4 mt -90.25 -42.59 10.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.1 p -85.02 39.57 0.77 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.454 HD13 ' O ' ' A' ' 58' ' ' VAL . 23.9 mt -144.55 109.12 4.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.467 ' N ' ' OE1' ' A' ' 64' ' ' GLN . 14.4 mp0 -94.03 157.18 16.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.634 ' CZ2' ' OG ' ' A' ' 10' ' ' SER . 0.8 OUTLIER -63.34 -42.33 98.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 108.006 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 ptm85 -56.77 -15.97 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -111.64 -61.58 1.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.442 ' C ' ' ND2' ' A' ' 69' ' ' ASN . . . -56.78 -17.65 9.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.442 ' ND2' ' C ' ' A' ' 68' ' ' ALA . 5.2 p30 42.05 92.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.552 HD12 ' CE3' ' A' ' 65' ' ' TRP . 1.3 mt -103.88 162.48 19.81 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.559 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.98 172.37 16.5 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.575 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -43.42 -82.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.629 ' C ' ' O ' ' A' ' 11' ' ' ALA . 32.4 t-20 -61.84 -2.68 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.591 ' C ' ' O ' ' A' ' 73' ' ' ASN . . . 23.23 89.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -94.26 116.1 28.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.523 ' CD1' ' N ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -111.75 150.45 30.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -101.53 133.38 46.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.246 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.454 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -90.31 128.03 36.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.593 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.8 m -139.86 137.18 18.04 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.857 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.01 132.95 15.98 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.857 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 7.9 p 160.3 -150.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.58 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 56.9 p -131.82 172.57 12.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -47.81 116.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 62.3 p -85.92 125.41 33.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.051 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.506 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 4.3 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.725 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.24 140.19 25.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.614 ' O ' ' O ' ' A' ' 24' ' ' VAL . 2.7 t -119.22 143.28 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.564 ' N ' ' O ' ' A' ' 74' ' ' ALA . 47.9 t -134.18 133.77 41.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.981 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.553 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.5 OUTLIER -119.92 117.52 53.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pp -103.02 109.75 21.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.619 ' CB ' ' O ' ' A' ' 20' ' ' ARG . . . -83.29 130.74 55.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.417 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -74.95 -8.1 19.82 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.473 1.775 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 20' ' ' ARG . 45.8 p30 -79.55 4.31 16.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.78 15.75 48.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.619 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -114.38 114.29 25.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 110.323 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.35 116.18 30.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.553 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 20.7 p-80 -137.97 138.61 39.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.565 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.511 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 3.5 t -118.83 133.52 55.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.416 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.614 ' O ' ' O ' ' A' ' 12' ' ' VAL . 62.4 t -120.52 131.93 71.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.6 111.86 23.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.497 ' CG2' HG21 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -125.28 168.54 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.22 153.61 69.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.375 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.533 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.4 Cg_endo -75.0 -13.68 21.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.9 p -101.41 -3.02 29.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.463 ' CG2' ' HG2' ' A' ' 34' ' ' GLN . 1.8 m -88.68 139.95 29.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.506 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 13.0 t -77.45 132.97 31.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.511 ' CD1' HD21 ' A' ' 59' ' ' LEU . 1.8 mt -57.35 -21.4 35.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.525 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 1.6 pp -62.38 -44.81 95.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.71 -40.74 84.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.486 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.8 OUTLIER -72.26 -48.27 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.483 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 8.2 tt -58.7 -45.85 88.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 6.8 mm-40 -64.99 -38.31 90.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.592 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 4.8 m-20 -59.79 -54.27 48.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.573 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 5.3 t -66.11 -34.3 77.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.386 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.541 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 13.1 m -67.9 -36.53 80.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 108.331 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.569 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.38 -48.99 65.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.592 ' CD ' ' O ' ' A' ' 38' ' ' ASP . 0.3 OUTLIER -75.14 -37.46 61.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.55 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 2.5 pt20 -91.37 4.06 53.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 40' ' ' CYS . 8.8 p-10 41.81 66.98 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.809 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.2 m-85 -127.65 159.29 35.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -121.1 145.39 41.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.474 ' CB ' HD12 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.03 -34.9 3.44 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.542 ' C ' ' O ' ' A' ' 81' ' ' VAL . 8.8 t -65.73 -8.4 20.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.613 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 18.4 mt-10 -123.05 -0.67 8.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.809 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 27.0 m-85 -146.83 139.35 24.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.612 ' N ' ' O ' ' A' ' 79' ' ' VAL . 6.6 m-20 -131.28 147.57 52.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.794 ' O ' ' N ' ' A' ' 59' ' ' LEU . 3.3 mp -121.68 133.9 54.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 57' ' ' THR . 2.2 ttpt -148.54 143.16 26.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.607 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -129.52 113.85 15.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.443 ' CG ' ' N ' ' A' ' 56' ' ' ARG . 5.5 tt0 60.09 -106.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.443 ' N ' ' CG ' ' A' ' 55' ' ' GLN . 3.1 mtm105 -110.64 14.81 22.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.5 ' HB ' ' CD2' ' A' ' 54' ' ' PHE . 8.7 m -118.78 128.19 54.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.457 ' O ' HD13 ' A' ' 63' ' ' LEU . 35.8 m -89.44 140.59 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.794 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -116.03 120.04 37.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.47 ' OD2' ' CB ' ' A' ' 83' ' ' ARG . 9.0 t0 -139.66 -152.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.474 HD12 ' CB ' ' A' ' 47' ' ' PRO . 14.5 mt -90.34 -42.49 10.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.402 ' O ' HD22 ' A' ' 63' ' ' LEU . 95.4 p -85.9 40.74 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.941 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 58' ' ' VAL . 34.7 mt -144.71 111.17 5.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.67 157.16 16.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.567 ' CE3' HD11 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -63.43 -45.4 91.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 107.998 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -58.36 -14.17 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -103.67 -62.98 1.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -65.97 -11.7 49.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 65' ' ' TRP . 5.5 p-10 41.48 93.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.567 HD11 ' CE3' ' A' ' 65' ' ' TRP . 5.2 mt -95.39 161.19 28.74 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.655 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.96 172.46 16.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.771 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.619 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -40.71 -82.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.725 ' C ' ' O ' ' A' ' 11' ' ' ALA . 1.1 t-20 -65.13 -1.84 2.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.655 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 27.19 88.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.487 ' C ' ' CD1' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -98.24 117.72 33.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.583 ' CD1' ' N ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -114.82 154.11 29.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -101.8 131.09 48.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.417 ' O ' ' HG3' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -85.9 134.77 33.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.612 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -146.1 136.05 11.85 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.839 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.97 132.89 15.97 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.839 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 8.8 p 161.17 -149.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.586 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 51.8 p -133.58 174.12 10.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.47 ' CB ' ' OD2' ' A' ' 60' ' ' ASP . 1.0 OUTLIER -50.61 -41.34 54.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 t -174.63 170.38 3.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.571 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 60.8 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.747 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -146.5 144.2 29.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.765 ' O ' ' O ' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -118.72 131.52 71.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.562 ' O ' ' N ' ' A' ' 76' ' ' LEU . 8.6 t -120.6 131.49 54.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.537 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -119.71 117.3 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.569 HD11 ' HA ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -106.62 122.25 45.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 20' ' ' ARG . . . -88.11 135.94 32.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.04 -8.58 20.16 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.406 ' OD1' ' C ' ' A' ' 18' ' ' ASN . 15.5 p30 -80.04 2.36 24.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.37 15.92 39.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.453 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 1.4 mtt180 -111.11 114.28 27.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 0.757 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.436 ' NE ' ' HB2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -110.38 119.99 40.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.537 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 10.2 p-80 -139.26 134.49 32.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.587 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 3.6 t -118.71 126.98 53.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.445 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.765 ' O ' ' O ' ' A' ' 12' ' ' VAL . 59.1 t -120.46 123.43 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.86 113.78 21.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 m -119.5 168.56 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.26 154.41 44.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.369 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.583 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.2 Cg_endo -75.05 -12.21 21.4 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 p -108.99 -2.91 17.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.434 HG21 ' CG1' ' A' ' 35' ' ' VAL . 1.5 m -88.7 140.23 29.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.425 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.519 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 5.2 m -77.28 128.82 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.485 ' O ' HG21 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -56.81 -21.08 26.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.57 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.7 pp -63.51 -45.45 90.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.247 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.67 -39.18 84.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.511 ' CG2' ' N ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -72.27 -49.87 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.511 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 11.2 tp -61.42 -43.05 99.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.57 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.6 mm-40 -61.63 -44.22 97.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.317 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.551 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -64.76 -54.28 33.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.583 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 89.1 m -57.19 -35.69 69.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.585 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 13.6 m -68.18 -36.52 79.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 108.307 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.561 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -67.33 -48.46 67.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.583 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -74.79 -37.34 62.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 110.306 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.585 ' HG2' ' HA ' ' A' ' 40' ' ' CYS . 5.6 pt20 -94.69 10.11 36.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 40' ' ' CYS . 1.7 p30 34.87 66.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.578 ' HB2' ' CG ' ' A' ' 43' ' ' GLN . 1.1 m-30 -126.41 159.28 33.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.439 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 0.8 OUTLIER -123.58 142.11 38.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' A' ' 50' ' ' TYR . 18.5 Cg_endo -74.93 -35.75 3.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.501 ' C ' ' O ' ' A' ' 81' ' ' VAL . 30.7 t -65.54 -8.43 19.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.973 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.605 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.8 mm-40 -123.6 -0.4 8.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.514 ' N ' ' O ' ' A' ' 81' ' ' VAL . 21.5 m-85 -146.94 139.38 24.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.683 ' N ' ' O ' ' A' ' 79' ' ' VAL . 5.2 m-20 -131.31 147.33 52.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.716 ' O ' ' N ' ' A' ' 59' ' ' LEU . 19.5 mt -121.69 137.21 54.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -148.68 143.16 26.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.46 ' CZ ' ' HG3' ' A' ' 71' ' ' PRO . 1.1 t80 -132.75 113.8 13.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 58.23 -107.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -110.56 14.85 22.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.6 m -119.92 133.07 55.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.6 m -89.42 140.31 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.716 ' N ' ' O ' ' A' ' 52' ' ' LEU . 2.7 mm? -115.2 119.69 37.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.451 ' HB3' ' CD2' ' A' ' 63' ' ' LEU . 5.1 t0 -150.39 -149.43 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.443 ' CD2' HD23 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -89.89 -42.25 11.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.8 p -87.2 40.96 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.451 ' CD2' ' HB3' ' A' ' 60' ' ' ASP . 3.3 mm? -137.59 96.57 3.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.461 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 2.8 mp0 -82.83 147.0 28.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.583 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.4 t90 -63.34 -41.73 98.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 108.023 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -56.34 -16.05 4.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -112.32 -54.72 2.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -64.52 -17.47 63.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 69' ' ' ASN . 8.5 p-10 39.52 91.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.497 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 25.1 mt -98.41 159.93 29.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.61 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -74.98 172.51 16.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.781 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.638 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -35.05 -90.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.747 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -64.27 -1.96 1.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.61 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 28.63 92.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.52 ' C ' ' CD1' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -90.41 124.62 35.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.562 ' N ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -118.23 151.73 37.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.569 ' HA ' HD11 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -101.36 129.56 47.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.423 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -86.63 132.8 33.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.683 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.2 m -146.15 134.64 10.88 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.863 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.06 133.09 16.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.863 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 7.3 p 160.61 -152.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.58 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 47.0 p -131.44 175.4 9.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.41 133.62 53.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.5 t -96.39 94.05 7.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.469 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 28.9 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.754 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -145.25 143.47 30.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.632 ' O ' ' O ' ' A' ' 24' ' ' VAL . 1.1 t -118.93 143.63 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.543 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 39.8 t -127.36 137.63 52.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.484 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.5 OUTLIER -119.79 117.54 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -104.18 109.64 21.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.601 ' CB ' ' O ' ' A' ' 20' ' ' ARG . . . -83.69 131.37 52.37 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.4 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.02 -8.07 19.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.799 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -79.71 4.36 16.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.87 15.87 47.32 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.601 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 3.8 mmt85 -113.99 114.37 26.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.757 . . . . 0.0 110.26 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.38 116.02 30.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.484 ' O ' ' O ' ' A' ' 14' ' ' VAL . 11.8 p-80 -139.23 138.36 36.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.596 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.543 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 5.0 t -118.75 132.48 56.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.632 ' O ' ' O ' ' A' ' 12' ' ' VAL . 60.2 t -120.55 128.72 76.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 7.8 pttt -84.34 115.49 22.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 m -114.01 168.47 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.71 154.2 42.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.356 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.579 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.2 Cg_endo -74.98 -12.3 21.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.537 1.809 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.0 p -112.3 -5.69 14.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.1 m -88.81 140.15 29.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.365 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.479 HG11 ' CD2' ' A' ' 33' ' ' LEU . 16.9 t -77.35 145.23 10.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.534 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -68.48 -21.35 64.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.509 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 1.8 pp -60.3 -43.66 96.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.615 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.78 -39.52 84.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.615 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.46 -48.52 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.489 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 5.5 tt -58.65 -46.44 87.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 3.7 mm-40 -66.79 -39.26 87.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.622 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -60.04 -54.37 46.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.62 ' HG1' ' NE2' ' A' ' 43' ' ' GLN . 9.6 t -65.92 -34.28 77.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.595 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 13.2 m -67.49 -36.35 80.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 108.273 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.725 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.14 -48.62 67.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.725 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -75.2 -37.37 61.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.62 ' NE2' ' HG1' ' A' ' 39' ' ' THR . 3.3 pt20 -93.2 7.55 43.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 40' ' ' CYS . 3.8 p-10 38.24 67.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.77 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 m-85 -127.45 159.39 34.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -122.82 145.21 44.81 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.473 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.0 -34.86 3.5 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.5 1.789 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.501 ' C ' ' O ' ' A' ' 81' ' ' VAL . 7.7 t -65.2 -8.41 17.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.592 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.5 mm-40 -123.58 -0.87 8.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.77 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 20.8 m-85 -146.47 139.27 25.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.612 ' N ' ' O ' ' A' ' 79' ' ' VAL . 3.7 m-20 -131.46 147.27 52.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.787 ' O ' ' N ' ' A' ' 59' ' ' LEU . 1.8 mp -121.79 134.77 54.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -148.99 143.15 25.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.534 ' CE1' ' HG3' ' A' ' 55' ' ' GLN . 0.4 OUTLIER -129.67 113.76 15.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.534 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 21.1 mm-40 58.89 -106.27 0.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.3 mtt-85 -110.71 14.8 22.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.6 m -118.55 135.38 54.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.417 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.2 m -91.08 140.4 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.787 ' N ' ' O ' ' A' ' 52' ' ' LEU . 2.6 mm? -117.87 118.0 30.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.484 ' HB3' ' CD2' ' A' ' 63' ' ' LEU . 1.1 t70 -146.44 -146.81 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.473 HD11 ' CG ' ' A' ' 47' ' ' PRO . 1.6 mt -90.18 -39.74 12.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.4 p -87.42 40.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.972 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.484 ' CD2' ' HB3' ' A' ' 60' ' ' ASP . 3.1 mm? -132.9 99.4 4.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 68' ' ' ALA . 11.7 mp0 -90.21 144.52 25.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.579 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.3 t90 -63.28 -39.32 94.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 108.009 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -60.63 -12.41 10.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -116.42 -62.22 1.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -60.2 -16.23 31.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 69' ' ' ASN . 8.2 p-10 40.91 87.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.464 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 0.4 OUTLIER -87.56 158.56 51.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.569 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.97 172.46 16.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.511 1.795 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.619 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -36.97 -89.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.754 ' C ' ' O ' ' A' ' 11' ' ' ALA . 2.4 t30 -64.65 -1.82 2.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.569 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 27.98 85.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.481 ' C ' ' CD1' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -89.95 123.49 33.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.49 ' CD1' ' N ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -117.74 152.18 35.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -101.39 131.16 47.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.4 ' O ' ' HG3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -88.84 133.15 34.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.612 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.7 p -145.98 137.13 12.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.847 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.01 132.85 15.87 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.847 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 5.9 p 161.39 -154.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.55 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 58.6 p -130.15 178.35 6.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.22 147.07 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.9 t -67.03 120.63 13.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.983 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.403 ' OG ' ' HD3' ' A' ' 28' ' ' PRO . 20.9 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.75 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.11 142.66 27.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.67 ' O ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -118.91 131.72 70.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.734 ' O ' ' N ' ' A' ' 76' ' ' LEU . 8.9 t -118.43 129.76 55.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.597 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -119.77 117.1 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.607 ' O ' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -107.04 123.64 48.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.522 ' CB ' ' OD1' ' A' ' 18' ' ' ASN . . . -87.63 136.67 32.67 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.487 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.98 -8.42 20.08 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.54 1.811 . . . . 0.0 111.055 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.522 ' OD1' ' CB ' ' A' ' 16' ' ' ALA . 32.4 p-10 -79.97 -0.05 33.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.36 15.8 31.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -111.32 114.17 27.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 110.301 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.44 118.09 35.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.597 ' O ' ' O ' ' A' ' 14' ' ' VAL . 8.7 p-80 -139.13 138.02 36.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.655 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 2.4 t -118.72 129.74 55.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.377 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.67 ' O ' ' O ' ' A' ' 12' ' ' VAL . 97.0 t -120.38 123.37 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.13 113.05 25.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.485 ' CG2' HG22 ' A' ' 12' ' ' VAL . 1.1 m -118.04 168.58 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.04 154.48 63.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.589 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -75.01 -12.29 21.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.8 p -109.91 -2.01 17.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 110.043 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.448 HG22 ' CG1' ' A' ' 35' ' ' VAL . 1.2 m -88.83 140.32 29.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.366 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.513 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 3.9 m -77.2 129.56 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.499 ' CD1' ' CD1' ' A' ' 59' ' ' LEU . 6.6 mt -58.74 -21.31 54.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.535 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.7 pp -62.2 -45.91 91.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.513 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.51 -39.73 85.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.49 ' CG2' ' N ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -72.09 -48.92 47.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.49 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 7.8 tt -58.52 -44.84 89.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.535 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.5 mm-40 -66.72 -38.62 87.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.55 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -59.99 -54.24 48.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.595 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 5.0 t -60.84 -34.49 74.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.379 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.529 ' O ' ' N ' ' A' ' 44' ' ' ASP . 9.2 m -68.17 -36.63 79.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 108.293 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.702 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.91 -48.59 65.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.702 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -75.11 -37.32 61.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.248 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.556 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 3.1 pt20 -93.49 7.23 45.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 40' ' ' CYS . 1.3 p30 38.87 67.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.822 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 m-85 -127.65 159.36 34.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -118.93 141.0 29.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.477 ' CB ' HD11 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -75.0 -34.21 4.0 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 39.2 t -65.01 -8.54 16.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.573 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 63.6 mt-10 -123.77 -1.78 8.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.822 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 20.1 m-85 -141.71 139.43 32.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.571 ' N ' ' O ' ' A' ' 79' ' ' VAL . 19.9 m-20 -131.24 147.42 52.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.772 ' O ' ' N ' ' A' ' 59' ' ' LEU . 3.6 mp -121.64 136.03 54.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 57' ' ' THR . 26.2 ttpt -146.61 140.15 25.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.583 ' CZ ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -129.42 113.86 15.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.473 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 2.9 mt-30 59.6 -107.96 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.55 14.4 22.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.457 ' HB ' ' CD2' ' A' ' 54' ' ' PHE . 13.9 m -119.15 133.25 55.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.407 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 13.8 m -88.63 140.46 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.772 ' N ' ' O ' ' A' ' 52' ' ' LEU . 2.9 mm? -113.71 117.8 32.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -147.62 -159.97 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.477 HD11 ' CB ' ' A' ' 47' ' ' PRO . 10.7 mt -90.27 10.6 24.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.4 ' O ' HD12 ' A' ' 63' ' ' LEU . 5.2 p -132.41 34.91 3.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.978 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 58' ' ' VAL . 2.8 mm? -142.6 110.56 5.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -94.13 148.37 22.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.589 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.2 t-105 -63.34 -40.36 97.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 108.033 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -57.36 -16.49 9.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -113.2 -52.85 2.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.408 ' C ' ' OD1' ' A' ' 69' ' ' ASN . . . -64.82 -20.71 66.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 69' ' ' ASN . 8.8 p-10 40.65 88.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.532 HD21 ' CD2' ' A' ' 65' ' ' TRP . 0.2 OUTLIER -91.51 159.87 37.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.608 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.1 Cg_endo -75.05 172.49 16.27 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.64 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -32.76 -93.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.75 ' C ' ' O ' ' A' ' 11' ' ' ALA . 1.9 t30 -64.86 -1.95 2.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.608 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 30.23 86.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.58 125.04 29.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.734 ' N ' ' O ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -122.13 153.57 38.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.541 ' HA ' ' CD1' ' A' ' 15' ' ' LEU . 2.5 pt-20 -106.7 135.89 47.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.257 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.487 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -93.77 132.53 38.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.975 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.571 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.6 p -146.12 133.99 10.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.665 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.92 133.12 16.32 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.493 1.786 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.665 ' CG1' ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER 165.72 -161.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 48.4 t -118.42 163.33 16.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.003 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 82' ' ' SER . 4.2 mtt-85 -37.02 109.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.333 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.7 p -53.35 99.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.416 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 37.4 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.6 ' O ' ' O ' ' A' ' 72' ' ' ASN . . . -147.06 140.11 25.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.274 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.62 ' O ' ' O ' ' A' ' 24' ' ' VAL . 1.2 t -118.81 139.76 45.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 74' ' ' ALA . 3.8 t -127.92 133.18 49.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.554 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.4 OUTLIER -119.84 117.39 53.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -103.22 109.65 21.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.63 ' CB ' ' O ' ' A' ' 20' ' ' ARG . . . -82.74 131.43 54.68 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.5 Cg_endo -74.95 -8.08 19.79 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.807 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 20' ' ' ARG . 47.0 p-10 -79.63 4.29 16.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.64 15.92 47.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.63 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 4.5 mtt-85 -114.9 114.35 25.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 0.778 . . . . 0.0 110.336 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.32 116.23 31.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 110.261 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.554 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 15.2 p-80 -138.99 138.42 37.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.607 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.511 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 30.5 p -118.72 131.4 56.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.62 ' O ' ' O ' ' A' ' 12' ' ' VAL . 54.0 t -120.47 135.84 59.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.75 139.38 37.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.437 HG23 ' CE3' ' A' ' 65' ' ' TRP . 16.2 m -136.71 168.45 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.128 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.48 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -102.67 154.19 37.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.567 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.4 Cg_endo -75.01 -12.17 21.48 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 p -113.86 -6.32 13.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.027 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -88.81 140.33 29.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.153 . . . . 0.0 110.374 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.509 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 3.3 m -77.36 141.95 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.489 ' O ' HG23 ' A' ' 35' ' ' VAL . 23.5 mt -69.23 -21.44 63.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.521 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.9 pp -61.54 -41.84 97.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.69 -40.6 84.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.319 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.508 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.1 -45.65 61.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.436 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 6.5 tt -60.86 -46.76 89.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 7.7 mm-40 -63.75 -41.11 98.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.543 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.7 OUTLIER -63.33 -54.22 40.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.583 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 75.7 m -59.33 -34.72 72.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.382 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.551 ' O ' ' CA ' ' A' ' 44' ' ' ASP . 8.9 m -68.07 -36.42 79.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 108.275 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.797 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.55 -48.41 67.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.797 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -75.18 -37.39 61.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.55 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 4.2 pt20 -95.97 11.23 34.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.551 ' CA ' ' O ' ' A' ' 40' ' ' CYS . 4.1 p-10 34.22 68.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.756 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -127.15 159.42 34.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.435 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 2.9 m120 -122.29 142.5 37.07 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 50' ' ' TYR . 18.3 Cg_endo -74.96 -35.23 3.3 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.494 ' C ' ' O ' ' A' ' 81' ' ' VAL . 8.9 t -65.07 -8.55 16.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.002 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.661 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 5.1 mt-10 -123.86 -1.14 8.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.756 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 14.8 m-85 -143.42 139.48 29.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.629 ' N ' ' O ' ' A' ' 79' ' ' VAL . 8.9 m-20 -131.32 147.46 52.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.78 ' O ' ' N ' ' A' ' 59' ' ' LEU . 2.9 mp -121.61 134.1 55.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -147.67 141.56 25.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.466 ' HB3' ' CD2' ' A' ' 59' ' ' LEU . 2.1 t80 -131.09 113.7 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 59.14 -107.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -110.74 14.87 22.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.42 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 4.6 m -120.4 123.96 44.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.418 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.414 ' HA ' ' HG2' ' A' ' 53' ' ' LYS . 3.7 m -82.94 140.47 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.78 ' N ' ' O ' ' A' ' 52' ' ' LEU . 2.5 mm? -115.36 117.77 31.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.466 ' HB3' ' CD2' ' A' ' 63' ' ' LEU . 9.1 t0 -141.83 -145.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.0 mt -90.06 -38.23 13.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.8 p -89.68 40.79 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.054 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 60' ' ' ASP . 3.1 mm? -131.85 101.21 5.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 68' ' ' ALA . 1.0 OUTLIER -93.98 145.25 24.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.264 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.567 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.2 t90 -63.18 -39.88 95.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 108.014 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -58.78 -14.87 9.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -115.34 -66.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.484 ' HB2' ' CD1' ' A' ' 70' ' ' LEU . . . -52.37 -20.7 2.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.435 ' CG ' ' O ' ' A' ' 68' ' ' ALA . 7.7 p-10 42.32 92.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.537 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 0.1 OUTLIER -100.47 165.66 13.99 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.537 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.02 172.42 16.4 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.6 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -46.2 -78.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.603 ' O ' ' C ' ' A' ' 74' ' ' ALA . 1.4 m-20 -64.26 -2.75 2.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.603 ' C ' ' O ' ' A' ' 73' ' ' ASN . . . 22.33 87.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.506 ' C ' ' CD1' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -94.88 120.14 34.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.538 ' CD1' ' N ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -117.35 151.71 36.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 1.9 mt-10 -102.21 132.67 47.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.579 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -91.04 137.07 32.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 110.968 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.629 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.3 m -146.05 138.95 14.14 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.843 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -75.01 133.05 16.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.843 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 5.6 p 161.97 -162.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.554 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 0.5 OUTLIER -130.25 102.82 6.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' A' ' 82' ' ' SER . 2.1 mpt_? 58.83 147.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.45 88.78 7.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.928 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.573 ' OG ' ' CZ2' ' A' ' 65' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.763 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.18 142.31 27.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.635 ' O ' ' O ' ' A' ' 24' ' ' VAL . 4.7 t -119.46 145.37 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.525 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 40.3 t -134.17 134.38 42.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.032 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.443 ' CG1' HD21 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -119.89 117.71 54.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pp -103.08 109.7 21.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.589 ' CB ' ' O ' ' A' ' 20' ' ' ARG . . . -83.78 131.52 51.66 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.97 -8.44 20.1 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.781 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.586 ' OD1' ' CB ' ' A' ' 16' ' ' ALA . 1.4 p-10 -79.98 6.78 10.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.87 16.02 55.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.589 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 2.4 mtt180 -112.84 114.22 26.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 110.354 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -110.46 116.02 30.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.431 ' O ' ' O ' ' A' ' 14' ' ' VAL . 32.9 p-80 -139.13 138.22 36.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.604 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.525 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 5.3 t -118.89 133.86 55.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.372 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.635 ' O ' ' O ' ' A' ' 12' ' ' VAL . 77.0 t -120.55 132.87 69.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.418 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -97.24 107.84 20.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.521 ' CG2' HG22 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -118.77 168.44 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.15 154.28 72.26 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.372 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.565 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -75.06 -12.21 21.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.2 p -106.78 1.36 24.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.976 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.8 140.1 29.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.502 ' CG2' ' HG ' ' A' ' 33' ' ' LEU . 6.8 m -77.5 130.43 36.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.533 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -57.04 -21.44 31.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.258 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.504 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.1 pp -63.44 -44.6 94.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.599 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.84 -38.63 83.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.599 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.35 -48.7 46.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.491 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 8.5 tp -60.86 -42.25 97.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 5.8 mm-40 -67.06 -38.73 86.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.565 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 6.5 m-20 -65.7 -54.42 27.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.561 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 12.6 t -64.13 -34.07 77.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.436 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.588 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 16.1 m -67.96 -36.55 80.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.323 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.566 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -66.37 -48.83 68.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.566 ' N ' ' CG ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -74.98 -37.3 61.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.588 ' HG2' ' HA ' ' A' ' 40' ' ' CYS . 4.0 pt20 -94.32 13.19 24.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 43' ' ' GLN . 2.8 p-10 31.81 69.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.779 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 0.9 OUTLIER -129.18 159.27 36.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.433 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 3.2 t30 -123.91 143.57 42.57 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.435 ' CG ' HD12 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.0 -34.91 3.46 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.498 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 13.2 t -64.9 -8.53 15.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.619 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 4.9 mm-40 -123.82 -2.36 8.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.779 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 12.7 m-85 -144.84 139.54 27.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.619 ' N ' ' O ' ' A' ' 79' ' ' VAL . 6.7 m-20 -131.31 147.36 52.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.815 ' O ' ' N ' ' A' ' 59' ' ' LEU . 1.5 mp -121.87 133.85 54.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 57' ' ' THR . 17.6 ttpt -149.13 142.42 25.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.594 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -128.4 113.81 16.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.435 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 15.9 mm-40 65.69 -110.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.8 mtm-85 -110.57 14.82 22.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 110.337 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.423 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 2.8 m -119.58 127.1 52.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.383 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.7 m -87.0 140.46 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.815 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -117.15 123.32 46.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.257 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' CB ' HD22 ' A' ' 63' ' ' LEU . 3.0 t0 -138.93 -147.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.441 ' CD2' HD22 ' A' ' 36' ' ' LEU . 78.9 mt -90.23 -39.42 12.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.4 p -87.73 39.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.056 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.427 HD22 ' CB ' ' A' ' 60' ' ' ASP . 2.0 mm? -131.3 105.55 7.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.551 ' NE2' ' CD2' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -91.65 141.38 28.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.251 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.573 ' CZ2' ' OG ' ' A' ' 10' ' ' SER . 0.9 OUTLIER -61.04 -41.1 95.94 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.557 ' HG3' ' CD1' ' A' ' 67' ' ' PHE . 15.6 ptm180 -64.72 -7.89 12.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.557 ' CD1' ' HG3' ' A' ' 66' ' ' ARG . 7.2 m-30 -114.37 -59.13 2.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.405 ' HB3' ' CD1' ' A' ' 70' ' ' LEU . . . -70.11 -9.06 54.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' A' ' 65' ' ' TRP . 4.1 p30 41.08 89.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.567 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 0.1 OUTLIER -85.99 159.83 53.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.531 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.1 Cg_endo -75.02 172.47 16.3 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.469 1.773 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.628 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -42.3 -85.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.763 ' C ' ' O ' ' A' ' 11' ' ' ALA . 1.4 t-20 -63.0 -1.83 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.534 ' HB1' ' O ' ' A' ' 11' ' ' ALA . . . 29.24 76.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.517 ' C ' ' CD1' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -92.85 117.05 29.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.629 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -113.89 153.92 28.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.51 128.72 47.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.559 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -85.41 136.02 33.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.619 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.6 m -145.31 141.21 16.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.873 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.97 133.07 16.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.873 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 5.8 p 160.3 -159.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.347 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.564 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 22.7 t -125.5 -173.09 2.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.49 -52.88 58.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 m -144.98 135.97 24.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.039 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.586 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 2.5 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.722 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -146.38 147.87 31.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.728 ' O ' ' O ' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -118.57 131.72 70.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.578 ' O ' ' N ' ' A' ' 76' ' ' LEU . 9.2 t -119.86 130.36 54.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.179 . . . . 0.0 109.992 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.559 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -119.61 117.32 53.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.599 HD13 ' HA ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -105.86 124.15 49.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.568 ' CB ' ' O ' ' A' ' 20' ' ' ARG . . . -86.83 136.37 34.48 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.99 -8.18 19.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.541 1.811 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 20' ' ' ARG . 47.3 p30 -79.64 2.24 23.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.67 15.61 39.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.568 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 33.6 mtt-85 -115.9 114.3 24.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -110.3 125.95 53.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.097 . . . . 0.0 110.277 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.559 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 11.7 p-80 -139.13 136.56 35.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 0.0 109.607 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 4.6 t -118.76 125.66 50.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.728 ' O ' ' O ' ' A' ' 12' ' ' VAL . 50.4 t -120.46 123.47 70.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.85 114.41 21.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 m -118.42 168.48 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.51 154.15 48.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.377 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.556 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.4 Cg_endo -74.96 -12.37 21.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.487 1.783 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.0 p -107.84 -5.94 16.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.3 m -88.8 140.04 29.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.358 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.472 HG12 ' CG ' ' A' ' 33' ' ' LEU . 6.5 t -77.41 135.5 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.605 ' O ' HG23 ' A' ' 35' ' ' VAL . 5.3 mt -60.55 -21.28 62.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.527 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 1.1 pp -62.47 -45.34 93.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.616 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.38 -37.77 83.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.616 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.37 -50.16 37.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 13.8 tp -61.29 -39.45 90.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 5.4 mm-40 -66.0 -43.55 87.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.569 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 1.2 m-20 -63.28 -54.3 39.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.589 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 97.8 m -61.3 -34.55 75.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 44' ' ' ASP . 15.4 m -68.28 -36.71 79.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 108.252 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.566 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.88 -48.93 64.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.589 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -74.91 -37.35 62.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.555 ' CG ' ' HB2' ' A' ' 45' ' ' PHE . 1.6 pt20 -90.69 2.22 56.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 40' ' ' CYS . 2.3 p-10 43.4 66.69 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.795 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.3 m-85 -128.44 159.19 36.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.46 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -123.53 143.77 42.44 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.469 ' CB ' HD13 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.0 -35.53 3.08 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.455 1.766 . . . . 0.0 110.972 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.51 ' C ' ' O ' ' A' ' 81' ' ' VAL . 45.1 t -65.41 -8.38 18.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.621 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 7.4 mt-10 -123.69 -1.39 8.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.795 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 14.3 m-85 -144.93 139.42 27.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.633 ' N ' ' O ' ' A' ' 79' ' ' VAL . 7.5 m-20 -131.34 147.51 52.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.763 ' O ' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -121.71 134.34 54.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.438 ' HG2' ' HA ' ' A' ' 58' ' ' VAL . 1.9 tmmm? -146.69 142.7 28.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.483 ' O ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -134.28 113.74 12.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.464 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 2.8 mm-40 60.18 -109.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -110.6 14.81 22.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.41 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 1.3 m -120.4 127.34 52.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.438 ' HA ' ' HG2' ' A' ' 53' ' ' LYS . 4.0 m -84.66 140.44 16.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.763 ' N ' ' O ' ' A' ' 52' ' ' LEU . 4.3 mm? -114.9 118.32 33.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.467 ' HB3' ' CD2' ' A' ' 63' ' ' LEU . 7.7 t0 -145.05 -148.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.469 HD13 ' CB ' ' A' ' 47' ' ' PRO . 5.1 mt -90.27 -39.27 12.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.8 p -86.66 38.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.019 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.491 ' O ' ' CD1' ' A' ' 32' ' ' LEU . 3.2 mm? -134.05 106.28 7.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.43 ' HG3' ' CG1' ' A' ' 31' ' ' VAL . 11.8 mp0 -93.98 144.36 25.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.591 ' CE3' HD13 ' A' ' 70' ' ' LEU . 1.4 t90 -63.43 -40.65 97.74 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -56.76 -15.09 4.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.467 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 10.1 m-85 -114.49 -57.81 2.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 69' ' ' ASN . . . -60.14 -15.5 24.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 67' ' ' PHE . 6.2 p30 37.45 82.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.591 HD13 ' CE3' ' A' ' 65' ' ' TRP . 8.8 mt -86.59 161.43 48.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.578 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -75.01 172.53 16.19 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.672 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -37.59 -88.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.722 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -64.12 -1.78 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.578 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 26.58 86.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.509 ' C ' ' CD1' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -88.4 127.62 35.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.578 ' N ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -121.99 153.88 37.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.599 ' HA ' HD13 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -102.85 130.71 49.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.678 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -87.88 134.56 33.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.633 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.5 m -146.13 136.15 11.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.871 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.97 133.01 16.12 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.871 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 6.3 p 160.02 -155.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.245 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.56 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 72.8 p -126.53 176.15 7.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -47.23 -59.22 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 75.4 m -131.0 135.56 47.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.475 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 57.8 m . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.73 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -142.67 149.43 38.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.675 ' O ' ' O ' ' A' ' 24' ' ' VAL . 0.6 OUTLIER -118.76 138.93 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.615 ' O ' ' N ' ' A' ' 76' ' ' LEU . 9.2 t -125.47 129.32 49.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.593 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -119.75 117.22 53.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.558 ' CD2' ' C ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -107.55 120.97 43.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 20' ' ' ARG . . . -84.57 135.42 40.83 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -75.01 -8.27 19.91 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.508 1.794 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.449 ' OD1' ' HB2' ' A' ' 20' ' ' ARG . 42.8 p30 -79.68 0.91 28.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.62 15.51 34.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.544 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 4.7 mmp_? -114.13 114.36 25.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.434 ' CG ' ' HB2' ' A' ' 15' ' ' LEU . 4.0 mtp180 -110.12 123.43 49.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.593 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 9.9 p-80 -139.18 136.28 34.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.58 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 4.0 t -118.71 125.56 49.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.675 ' O ' ' O ' ' A' ' 12' ' ' VAL . 60.3 t -120.31 123.39 70.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -83.7 107.69 16.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 m -106.7 167.06 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.478 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -92.07 153.93 43.3 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.556 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.4 Cg_endo -74.98 -12.46 21.57 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.445 1.761 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 p -112.97 -4.76 13.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.021 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -88.07 140.19 29.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.511 ' CG2' ' HG ' ' A' ' 33' ' ' LEU . 12.7 m -77.44 128.25 38.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.236 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.544 ' O ' HG21 ' A' ' 35' ' ' VAL . 2.1 mt -57.08 -21.3 30.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.551 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.5 pp -62.1 -45.64 92.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.637 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.71 -37.95 82.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.637 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.8 OUTLIER -72.33 -50.17 37.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.517 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 16.6 tp -62.44 -37.7 86.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.551 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 6.8 mm-40 -65.89 -41.81 91.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.549 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 5.8 m-20 -64.5 -54.13 37.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.585 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 68.8 m -58.42 -35.56 72.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.419 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.529 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 18.9 m -68.24 -36.59 79.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 108.293 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.562 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 1.9 ptt180 -67.61 -48.64 66.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.585 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -74.93 -37.3 62.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.564 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 4.6 pt20 -95.78 13.06 27.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.513 ' C ' ' O ' ' A' ' 43' ' ' GLN . 0.9 OUTLIER 31.77 69.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CG ' ' HG3' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -127.56 159.36 34.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.427 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 0.5 OUTLIER -122.91 141.72 36.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.478 ' CB ' HD12 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.02 -35.04 3.35 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.48 1.779 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 81' ' ' VAL . 1.7 p -64.77 -8.62 15.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.969 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.597 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 2.9 mt-10 -123.71 -2.55 8.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.355 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.574 ' CD1' ' CE ' ' A' ' 78' ' ' MET . 21.3 m-85 -144.73 139.43 27.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.653 ' N ' ' O ' ' A' ' 79' ' ' VAL . 2.8 m-20 -131.17 147.25 52.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.805 ' O ' ' N ' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -121.81 134.65 54.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 57' ' ' THR . 2.5 ttmm -148.8 137.33 21.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.573 ' CZ ' ' HG3' ' A' ' 71' ' ' PRO . 0.2 OUTLIER -115.86 113.71 23.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.451 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 5.7 mm-40 56.78 -103.06 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.72 14.9 22.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.542 ' O ' ' N ' ' A' ' 54' ' ' PHE . 5.9 m -117.35 133.76 55.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.379 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.442 ' O ' HD13 ' A' ' 63' ' ' LEU . 26.4 m -91.73 140.59 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.805 ' N ' ' O ' ' A' ' 52' ' ' LEU . 3.9 mm? -120.34 119.66 33.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -141.83 -153.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.478 HD12 ' CB ' ' A' ' 47' ' ' PRO . 8.2 mt -90.24 -40.54 12.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.6 p -86.16 39.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 58' ' ' VAL . 23.7 mt -144.19 108.29 4.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.439 ' N ' ' OE1' ' A' ' 64' ' ' GLN . 7.3 mp0 -90.94 154.4 19.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.556 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.0 OUTLIER -62.9 -42.86 99.93 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -18.29 9.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -105.39 -64.87 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.462 ' C ' ' ND2' ' A' ' 69' ' ' ASN . . . -56.69 -18.87 13.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.462 ' ND2' ' C ' ' A' ' 68' ' ' ALA . 5.2 p30 42.3 93.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.49 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 0.2 OUTLIER -98.85 159.14 31.06 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.6 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -74.98 172.55 16.14 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.801 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.644 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -35.0 -90.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.73 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -64.79 -1.99 2.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.6 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 27.88 85.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -84.13 121.34 27.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.615 ' N ' ' O ' ' A' ' 13' ' ' SER . 0.3 OUTLIER -122.13 154.05 37.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.522 ' HA ' ' CD1' ' A' ' 15' ' ' LEU . 6.6 mt-10 -106.87 141.23 38.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.574 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -92.7 135.64 33.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 111.023 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.653 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.5 p -146.13 135.42 11.39 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.816 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.05 132.82 15.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.816 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 6.3 p 162.77 -156.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.566 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 12.2 p -130.64 -173.36 3.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.994 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.3 mtp-105 -58.18 100.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.57 132.94 46.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.004 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.338 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.734 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.05 146.71 30.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.71 ' O ' ' O ' ' A' ' 24' ' ' VAL . 1.1 t -118.79 149.39 21.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.617 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 31.4 t -137.49 134.08 35.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.039 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.73 117.45 53.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pp -101.59 109.59 21.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.599 ' CB ' ' O ' ' A' ' 20' ' ' ARG . . . -81.71 131.47 57.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.405 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.96 -8.57 20.24 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.55 1.816 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -80.11 4.46 17.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.11 15.83 46.68 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.599 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -112.35 114.3 26.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -110.33 116.21 31.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 14' ' ' VAL . 19.4 p-80 -138.64 138.78 38.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.596 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.617 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 14.8 p -118.65 130.61 55.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.397 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.71 ' O ' ' O ' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -120.56 134.43 64.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.83 127.37 32.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.557 ' CG1' ' N ' ' A' ' 27' ' ' THR . 2.7 t -121.74 167.43 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.557 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -110.57 154.27 43.18 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.412 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.531 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.2 Cg_endo -74.98 -12.32 21.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.535 1.808 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.9 p -114.87 -3.49 12.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.3 m -88.81 139.18 30.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.434 ' CG2' ' HG ' ' A' ' 33' ' ' LEU . 12.5 m -77.66 127.46 38.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 35' ' ' VAL . 7.2 mt -57.02 -21.36 30.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.518 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.3 pp -64.51 -44.64 90.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.654 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.81 -38.06 82.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.264 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.654 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.48 -49.81 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.514 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 6.1 tt -61.35 -42.75 99.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.8 mm-40 -65.64 -38.67 90.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.586 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -59.8 -54.23 48.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.56 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 12.3 t -61.91 -34.41 76.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.57 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 8.5 m -67.94 -36.42 80.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 108.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.559 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -66.48 -48.8 68.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.586 ' CD ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -75.13 -37.37 61.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.57 ' HG2' ' HA ' ' A' ' 40' ' ' CYS . 5.1 pt20 -95.13 11.25 32.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 40' ' ' CYS . 3.4 p-10 34.31 68.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.837 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -126.79 159.28 34.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 18.4 m120 -121.36 144.61 40.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.349 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.448 ' O ' ' O ' ' A' ' 50' ' ' TYR . 18.2 Cg_endo -74.98 -36.52 2.51 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.516 ' C ' ' O ' ' A' ' 81' ' ' VAL . 10.2 t -63.21 -8.59 8.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.634 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 69.0 mt-10 -123.7 0.59 8.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.837 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 14.8 m-85 -146.97 139.45 24.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.612 ' N ' ' O ' ' A' ' 79' ' ' VAL . 7.0 m-20 -131.21 147.63 52.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.779 ' O ' ' N ' ' A' ' 59' ' ' LEU . 13.2 mt -121.58 133.9 55.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 4.0 ttpt -146.57 143.12 28.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.245 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.515 ' CE2' ' HD3' ' A' ' 71' ' ' PRO . 0.1 OUTLIER -129.38 113.84 15.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.426 ' CG ' ' N ' ' A' ' 56' ' ' ARG . 7.8 tt0 59.1 -106.89 0.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.426 ' N ' ' CG ' ' A' ' 55' ' ' GLN . 7.7 mmp_? -110.58 14.8 22.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.403 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 18.8 m -119.08 130.68 55.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.361 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.417 ' O ' HD13 ' A' ' 63' ' ' LEU . 33.3 m -88.96 140.48 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.779 ' N ' ' O ' ' A' ' 52' ' ' LEU . 4.0 mm? -116.87 119.68 36.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -141.38 -154.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.505 ' CD2' HD23 ' A' ' 36' ' ' LEU . 3.4 mt -90.18 -41.62 11.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.132 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.8 p -84.2 39.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 37.6 mt -144.72 108.9 4.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.455 ' N ' ' OE1' ' A' ' 64' ' ' GLN . 20.0 mp0 -93.98 156.46 16.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.531 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.1 t90 -63.26 -43.76 97.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 107.989 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -15.22 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -112.19 -62.44 1.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.45 ' C ' ' ND2' ' A' ' 69' ' ' ASN . . . -60.9 -15.96 36.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.45 ' ND2' ' C ' ' A' ' 68' ' ' ALA . 4.5 p30 41.7 92.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.247 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 65' ' ' TRP . 0.2 OUTLIER -96.86 159.57 31.23 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.554 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.5 Cg_endo -74.97 172.38 16.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.782 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.681 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -40.37 -86.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.734 ' C ' ' O ' ' A' ' 11' ' ' ALA . 2.0 t30 -62.79 -1.86 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.557 ' C ' ' O ' ' A' ' 73' ' ' ASN . . . 25.24 84.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.451 ' HA ' ' HB3' ' A' ' 13' ' ' SER . 0.0 OUTLIER -92.51 118.21 30.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.467 ' CD1' ' N ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -112.33 153.28 27.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 3.7 pt-20 -101.33 129.71 47.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.405 ' O ' ' HG3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -85.34 132.73 34.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.612 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.4 m -146.13 137.7 13.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.87 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.95 132.95 16.08 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.518 1.799 . . . . 0.0 111.034 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.87 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 6.2 p 159.9 -153.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.565 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 23.8 p -129.44 174.91 9.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.466 ' CZ ' HD12 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -49.05 137.02 13.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.7 80.9 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.291 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.719 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -146.54 140.13 25.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.622 ' O ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -119.3 143.94 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.567 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 29.5 t -129.85 136.99 50.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.487 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.77 117.54 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -102.98 109.77 21.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.637 ' CB ' ' O ' ' A' ' 20' ' ' ARG . . . -83.43 130.99 54.18 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.6 Cg_endo -74.94 -8.21 19.92 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.454 1.765 . . . . 0.0 111.06 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.426 ' OD1' ' HB2' ' A' ' 20' ' ' ARG . 10.2 p30 -79.8 4.47 16.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.79 15.85 47.68 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.637 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 1.8 mmt180 -114.34 114.49 25.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.275 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -110.11 115.82 30.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.487 ' O ' ' O ' ' A' ' 14' ' ' VAL . 13.7 p-80 -139.36 138.64 36.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.575 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.567 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 5.6 t -118.7 134.09 55.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.622 ' O ' ' O ' ' A' ' 12' ' ' VAL . 53.8 t -120.44 131.47 72.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.31 119.18 32.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.528 ' CG2' HG22 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -128.71 168.42 21.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.94 154.11 67.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.544 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -74.96 -12.29 21.6 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.8 p -106.43 -1.43 23.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.5 m -88.38 140.24 29.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.449 ' CG2' ' HG ' ' A' ' 33' ' ' LEU . 5.0 m -77.29 128.94 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.573 ' O ' HG21 ' A' ' 35' ' ' VAL . 4.8 mt -56.88 -21.44 29.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.525 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.7 pp -62.23 -44.45 96.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.64 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.75 -38.33 83.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 110.319 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.64 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.32 -48.41 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.489 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 6.2 tt -59.81 -46.57 88.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.1 mm-40 -63.85 -38.77 92.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.564 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 4.7 m-20 -63.1 -54.21 41.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.585 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 1.7 p -62.73 -34.37 77.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 110.428 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.566 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 14.0 m -67.7 -36.44 80.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 108.273 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.564 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.56 -48.9 65.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.585 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -75.05 -37.38 61.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.566 ' HG2' ' HA ' ' A' ' 40' ' ' CYS . 2.7 pt20 -93.88 7.92 43.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 40' ' ' CYS . 6.4 p-10 37.16 67.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.718 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 m-85 -127.64 159.31 35.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 3.3 m-80 -121.65 143.57 38.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.487 ' CB ' HD12 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.0 -34.63 3.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.503 ' C ' ' O ' ' A' ' 81' ' ' VAL . 42.1 t -65.98 -8.44 22.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.622 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.6 mm-40 -123.66 0.51 8.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.718 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 17.2 m-85 -147.46 139.36 24.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.656 ' N ' ' O ' ' A' ' 79' ' ' VAL . 5.2 m-20 -131.33 147.23 52.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.785 ' O ' ' N ' ' A' ' 59' ' ' LEU . 2.3 mp -121.82 136.59 54.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.402 ' HG3' ' HA ' ' A' ' 58' ' ' VAL . 2.7 ttmm -148.68 137.05 21.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.549 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -124.08 113.8 18.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 110.985 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.453 ' CG ' ' N ' ' A' ' 56' ' ' ARG . 0.6 OUTLIER 58.84 -107.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.453 ' N ' ' CG ' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -110.61 14.82 22.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.522 ' HB ' ' CD2' ' A' ' 54' ' ' PHE . 12.0 m -120.28 125.88 49.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.356 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.406 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 2.6 m -82.49 140.49 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.785 ' N ' ' O ' ' A' ' 52' ' ' LEU . 1.3 mm? -114.45 117.62 31.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.504 ' CB ' HD21 ' A' ' 63' ' ' LEU . 7.4 t0 -144.12 -149.41 0.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.487 HD12 ' CB ' ' A' ' 47' ' ' PRO . 3.2 mt -90.32 -38.76 13.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.421 ' O ' HD13 ' A' ' 63' ' ' LEU . 61.8 p -88.58 39.43 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.014 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.526 ' O ' ' CD1' ' A' ' 32' ' ' LEU . 1.6 mm? -134.35 106.84 7.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.14 141.71 28.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.544 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.0 OUTLIER -63.33 -39.85 95.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 108.003 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.578 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 6.2 ptp180 -56.79 -21.9 32.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.578 ' CD2' ' HG3' ' A' ' 66' ' ' ARG . 23.1 m-85 -108.67 -54.65 2.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.421 ' HB3' ' CD1' ' A' ' 70' ' ' LEU . . . -61.16 -17.25 51.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 67' ' ' PHE . 5.3 p30 41.14 86.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.435 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 2.8 mp -88.29 161.98 41.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.561 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -75.03 172.34 16.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.45 1.763 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.613 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -42.57 -82.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.719 ' C ' ' O ' ' A' ' 11' ' ' ALA . 17.6 m-20 -65.57 -1.76 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.609 ' O ' ' HA ' ' A' ' 12' ' ' VAL . . . 25.76 86.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -93.43 118.87 31.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.523 ' CD2' HG13 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -112.08 152.0 28.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -104.41 126.63 51.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.64 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -85.35 135.01 34.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.656 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.7 p -146.02 138.55 13.82 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.88 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.5 Cg_endo -74.92 133.0 16.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.542 1.812 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.88 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 5.9 p 159.78 -154.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.552 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 25.0 p -129.87 177.39 7.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.028 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -47.11 -49.48 21.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.5 t -156.98 78.85 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.032 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.562 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 71.5 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.739 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -145.76 145.69 30.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.561 ' O ' ' O ' ' A' ' 24' ' ' VAL . 1.2 t -120.43 142.95 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.565 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 22.6 t -130.49 134.21 46.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.974 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.541 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.3 OUTLIER -119.7 117.4 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -102.59 109.53 21.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.605 ' HB1' ' OD1' ' A' ' 18' ' ' ASN . . . -83.35 132.09 51.02 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -7.56 19.28 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.605 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 4.8 p30 -79.17 6.13 10.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.15 15.85 55.01 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.598 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -116.22 114.31 24.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 0.739 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.1 116.41 31.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.541 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 7.7 p-80 -138.79 138.32 37.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.558 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.565 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 2.8 t -118.68 134.37 55.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.561 ' O ' ' O ' ' A' ' 12' ' ' VAL . 60.7 t -120.57 132.31 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.14 118.64 24.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 m -123.17 168.41 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.347 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.77 154.14 43.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.363 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.595 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -75.0 -12.43 21.51 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.436 1.756 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 p -108.6 -3.68 17.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.972 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 m -88.73 139.74 30.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.51 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 10.6 t -77.9 132.06 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.491 ' O ' HG22 ' A' ' 35' ' ' VAL . 2.9 mm? -56.94 -21.25 28.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.549 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 1.0 OUTLIER -63.1 -46.38 87.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.51 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -66.18 -39.33 89.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.138 . . . . 0.0 110.29 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.515 ' CG2' ' N ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -72.07 -50.18 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.515 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 13.5 tp -61.35 -38.76 88.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 5.4 mm-40 -65.55 -42.53 91.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.542 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 6.2 m-20 -61.31 -54.16 47.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.582 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 47.2 m -62.45 -35.42 79.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 44' ' ' ASP . 16.5 m -68.28 -36.49 79.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 108.336 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.786 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.95 -48.68 65.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.786 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -75.09 -37.17 61.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.322 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.55 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 1.6 pt20 -91.49 3.49 54.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 40' ' ' CYS . 0.7 OUTLIER 42.21 67.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.802 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.2 m-85 -128.25 159.4 35.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.932 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.418 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 3.5 m120 -122.25 145.05 43.22 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.475 ' CG ' HD12 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.04 -34.92 3.42 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.788 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.498 ' C ' ' O ' ' A' ' 81' ' ' VAL . 7.9 t -65.89 -8.46 22.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.028 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.625 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 21.9 mt-10 -123.58 -0.21 8.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.802 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 23.8 m-85 -146.03 139.36 26.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.668 ' N ' ' O ' ' A' ' 79' ' ' VAL . 5.0 m-20 -131.39 147.58 52.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.798 ' O ' ' N ' ' A' ' 59' ' ' LEU . 8.9 mt -121.59 134.56 55.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 57' ' ' THR . 29.2 ttpt -148.83 143.26 26.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.58 ' CZ ' ' HG3' ' A' ' 71' ' ' PRO . 1.0 OUTLIER -128.47 113.85 16.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 111.009 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.55 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 5.4 mm-40 58.42 -105.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 69.0 mtt85 -110.57 14.61 22.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 54' ' ' PHE . 6.0 m -118.45 132.24 56.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.392 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.412 ' O ' HD13 ' A' ' 63' ' ' LEU . 35.8 m -89.91 140.56 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.798 ' N ' ' O ' ' A' ' 52' ' ' LEU . 3.3 mm? -117.36 119.45 35.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -142.2 -155.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.475 HD12 ' CG ' ' A' ' 47' ' ' PRO . 56.8 mt -90.2 -39.61 12.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 96.4 p -84.6 38.6 0.7 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 109.941 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.412 HD13 ' O ' ' A' ' 58' ' ' VAL . 32.5 mt -144.77 110.55 5.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 68' ' ' ALA . 2.2 mt-30 -92.87 153.73 18.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.595 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 0.7 OUTLIER -63.45 -40.06 96.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 108.004 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.46 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 10.2 ptm180 -56.09 -27.98 55.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.256 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.46 ' CD2' ' HG3' ' A' ' 66' ' ' ARG . 26.0 m-85 -102.1 -60.62 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.943 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -56.43 -17.4 7.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 68' ' ' ALA . 5.6 p30 42.84 94.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.423 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 0.7 OUTLIER -101.19 160.27 27.12 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.613 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -75.02 172.46 16.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.535 1.808 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.599 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -42.1 -82.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.739 ' C ' ' O ' ' A' ' 11' ' ' ALA . 76.2 m-20 -65.26 -1.71 2.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.613 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 27.56 86.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.417 ' C ' ' CD1' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -92.05 119.07 31.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.459 ' CD2' HG13 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -116.29 150.06 38.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -101.35 132.79 46.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.279 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.85 132.9 34.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.668 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -145.99 134.9 11.12 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.846 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.03 133.03 16.06 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.464 1.771 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.846 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 6.2 p 161.76 -155.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.57 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 3.9 p -129.45 165.61 21.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.014 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -42.48 143.19 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.9 p -73.84 168.07 20.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.694 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.31 140.06 24.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.768 ' O ' ' O ' ' A' ' 24' ' ' VAL . 16.6 t -119.0 142.76 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.605 ' N ' ' O ' ' A' ' 74' ' ' ALA . 7.3 t -137.4 127.18 25.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.566 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.48 117.24 53.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.599 HD11 ' HA ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -108.43 120.44 42.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.53 ' CB ' ' OD1' ' A' ' 18' ' ' ASN . . . -87.37 135.72 34.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.112 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.509 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.05 -8.51 20.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.799 . . . . 0.0 110.955 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.53 ' OD1' ' CB ' ' A' ' 16' ' ' ALA . 30.1 p-10 -80.0 0.0 33.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.05 15.99 31.69 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.523 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 11.9 mmt180 -112.22 114.2 26.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 0.721 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.55 123.19 49.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.566 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 9.6 p-80 -139.16 136.79 35.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.624 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 5.4 t -118.87 126.74 52.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.432 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.768 ' O ' ' O ' ' A' ' 12' ' ' VAL . 82.2 t -120.58 138.01 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -103.3 115.52 30.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.356 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.514 ' CG2' HG21 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -129.15 168.42 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.16 154.58 63.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.376 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.537 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.6 Cg_endo -74.94 -12.43 21.64 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.547 1.814 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 p -104.15 -2.0 26.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -88.72 140.41 29.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.428 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.497 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 10.7 m -77.08 128.84 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.513 ' O ' HG21 ' A' ' 35' ' ' VAL . 14.8 mt -56.79 -21.34 27.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.524 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.8 pp -63.42 -45.54 90.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.586 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.85 -38.2 82.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.586 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.8 OUTLIER -72.15 -50.03 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.515 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 12.8 tp -60.79 -37.6 82.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.8 mm-40 -66.03 -43.23 88.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.523 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 9.7 m-20 -63.17 -54.14 42.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.573 ' HA ' ' HD3' ' A' ' 42' ' ' ARG . 25.5 p -59.24 -37.91 78.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.524 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 17.4 m -68.24 -36.61 79.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 108.313 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.555 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -66.41 -48.79 68.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.573 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 0.2 OUTLIER -73.4 -37.12 66.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 110.304 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.54 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 1.7 pt20 -95.46 13.21 26.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.5 ' C ' ' O ' ' A' ' 43' ' ' GLN . 4.0 p-10 33.15 70.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.696 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -128.29 159.24 35.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.055 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.416 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 3.5 t30 -123.46 143.01 40.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' A' ' 50' ' ' TYR . 18.2 Cg_endo -75.05 -35.87 2.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.563 1.822 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.558 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 8.0 t -62.24 -8.69 6.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.57 ' C ' ' O ' ' A' ' 81' ' ' VAL . 2.8 mm-40 -123.82 -6.42 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.696 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 15.9 m-85 -140.03 139.26 35.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.603 ' N ' ' O ' ' A' ' 79' ' ' VAL . 0.8 OUTLIER -131.54 147.51 52.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.362 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.803 ' O ' ' N ' ' A' ' 59' ' ' LEU . 8.8 mt -121.57 133.8 55.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -147.19 139.4 24.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.53 ' CZ ' ' HG3' ' A' ' 71' ' ' PRO . 0.2 OUTLIER -126.03 113.68 17.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.483 ' OE1' ' CE1' ' A' ' 54' ' ' PHE . 67.7 mt-30 57.96 -106.4 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.76 14.89 22.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 1.4 m -120.6 122.29 40.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.365 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.412 ' HA ' ' HG2' ' A' ' 53' ' ' LYS . 3.8 m -82.2 140.43 16.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.803 ' N ' ' O ' ' A' ' 52' ' ' LEU . 3.3 mm? -115.98 119.79 37.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -145.28 -152.71 0.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.498 ' CD2' HD21 ' A' ' 36' ' ' LEU . 96.1 mt -90.19 -19.23 24.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 83.4 p -105.31 39.93 1.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 110.056 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 58' ' ' VAL . 3.3 mm? -138.19 106.09 5.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.8 OUTLIER -94.22 141.81 28.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.277 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.537 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.2 t90 -63.4 -41.26 98.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 107.984 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -58.13 -14.97 7.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.255 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.436 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 19.8 m-85 -116.88 -60.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -59.14 -14.52 10.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 67' ' ' PHE . 4.7 p30 42.33 92.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.59 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 1.7 mp -91.87 164.48 23.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.549 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -75.03 172.13 16.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.599 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -47.27 -78.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.694 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -65.16 -1.89 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.605 ' O ' ' N ' ' A' ' 13' ' ' SER . . . 31.86 83.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.525 ' C ' ' CD1' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -96.03 123.71 39.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.525 ' CD1' ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -121.5 153.86 37.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.599 ' HA ' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -103.09 132.81 49.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.509 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -86.87 132.01 33.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.603 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.2 p -146.12 134.55 10.85 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.084 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.711 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.04 132.98 15.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.776 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.711 ' CG1' ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER 163.02 -161.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.558 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 15.2 m -114.26 164.95 13.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.428 ' O ' ' CB ' ' A' ' 84' ' ' SER . 3.2 ptt85 -37.72 109.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 83' ' ' ARG . 0.1 OUTLIER 80.19 -63.15 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.033 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.557 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 55.2 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.739 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.09 143.1 28.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.8 ' O ' ' O ' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -118.76 131.51 71.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.541 ' O ' ' N ' ' A' ' 76' ' ' LEU . 10.0 t -121.74 129.42 52.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.577 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -119.5 117.21 53.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.612 HD13 ' HA ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -106.84 124.14 49.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.508 ' CB ' ' OD1' ' A' ' 18' ' ' ASN . . . -89.31 136.66 29.79 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.477 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.05 -8.25 19.85 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.508 ' OD1' ' CB ' ' A' ' 16' ' ' ALA . 25.4 p30 -79.79 0.65 29.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.91 16.04 34.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.11 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.505 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -112.03 114.28 27.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 110.308 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.4 121.25 44.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.577 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 12.5 p-80 -139.21 135.97 34.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.629 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 3.3 t -118.76 124.91 48.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.8 ' O ' ' O ' ' A' ' 12' ' ' VAL . 58.5 t -120.44 127.34 75.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -77.37 132.41 38.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.472 ' CG2' ' HB ' ' A' ' 12' ' ' VAL . 5.0 m -132.38 168.5 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.13 154.53 37.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 110.373 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.589 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.5 Cg_endo -74.99 -12.25 21.53 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.481 1.78 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.4 p -112.03 -5.84 14.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.028 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 m -88.76 140.37 29.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 110.365 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.481 ' CG2' ' HG ' ' A' ' 33' ' ' LEU . 17.4 m -77.2 129.32 37.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.544 ' O ' HG22 ' A' ' 35' ' ' VAL . 8.6 mt -59.99 -21.39 61.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.538 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.9 pp -62.41 -44.09 97.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.628 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.74 -38.33 83.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.628 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.39 -48.72 46.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.493 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 9.9 tp -62.08 -40.87 97.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.6 mm-40 -64.8 -42.04 95.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.539 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 19.3 m-20 -63.81 -54.24 38.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.592 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 89.6 m -58.48 -34.48 70.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.418 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.578 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 14.5 m -68.11 -36.52 79.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 108.278 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.558 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.78 -48.79 65.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.592 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -74.83 -37.44 62.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.313 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.578 ' HG2' ' HA ' ' A' ' 40' ' ' CYS . 4.0 pt20 -93.88 8.02 42.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 110.34 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 40' ' ' CYS . 3.4 p-10 37.08 67.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.574 ' HB2' ' CG ' ' A' ' 43' ' ' GLN . 1.1 m-85 -126.88 159.3 34.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 111.03 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.434 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 7.0 m-20 -122.99 141.77 36.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.423 ' O ' ' O ' ' A' ' 50' ' ' TYR . 18.1 Cg_endo -75.09 -35.83 2.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.493 1.786 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 5.6 t -64.24 -8.54 12.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.587 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 2.0 mm-40 -123.98 -3.54 8.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.653 ' CD1' ' CE ' ' A' ' 78' ' ' MET . 22.5 m-85 -142.07 139.55 32.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.624 ' N ' ' O ' ' A' ' 79' ' ' VAL . 18.5 m-20 -131.36 147.58 52.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.8 ' O ' ' N ' ' A' ' 59' ' ' LEU . 9.3 mt -121.55 133.83 55.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 57' ' ' THR . 21.5 ttpt -149.0 143.13 25.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 57' ' ' THR . 0.4 OUTLIER -127.63 113.84 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.99 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.493 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 19.5 tt0 58.45 -105.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.493 ' N ' ' HG2' ' A' ' 55' ' ' GLN . 62.0 mtt85 -110.6 14.8 22.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 54' ' ' PHE . 5.3 m -118.54 130.54 55.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.382 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.46 ' O ' HD13 ' A' ' 63' ' ' LEU . 29.8 m -90.13 140.59 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.8 ' N ' ' O ' ' A' ' 52' ' ' LEU . 3.3 mm? -118.28 119.15 33.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.403 ' N ' HD12 ' A' ' 63' ' ' LEU . 3.4 t70 -142.71 -153.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.403 ' O ' ' HB3' ' A' ' 33' ' ' LEU . 4.1 mt -90.19 -41.43 11.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.4 ' O ' HD21 ' A' ' 63' ' ' LEU . 75.1 p -83.73 38.32 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.022 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 58' ' ' VAL . 22.8 mt -145.84 107.31 4.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.464 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 24.8 mp0 -92.94 157.63 16.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.589 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.1 t90 -63.51 -40.47 97.14 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.425 ' HD2' ' CE2' ' A' ' 67' ' ' PHE . 4.1 ptp85 -56.14 -16.17 4.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.313 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.425 ' CE2' ' HD2' ' A' ' 66' ' ' ARG . 28.2 m-85 -115.06 -60.51 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.445 ' C ' ' ND2' ' A' ' 69' ' ' ASN . . . -57.03 -18.36 13.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.445 ' ND2' ' C ' ' A' ' 68' ' ' ALA . 5.3 p30 41.73 92.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.485 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 0.3 OUTLIER -100.3 157.97 32.83 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.616 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -75.03 172.52 16.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.471 1.774 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.668 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -35.42 -90.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.739 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -64.13 -1.91 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.616 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 28.61 89.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.458 ' C ' ' CD1' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -90.17 120.1 31.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.541 ' N ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -115.69 153.12 31.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 0.0 109.265 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.612 ' HA ' HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -102.07 130.27 48.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.653 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -88.02 132.3 34.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.624 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.8 p -146.19 136.95 12.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.731 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -74.95 133.0 16.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.471 1.774 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.731 ' CG1' ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER 162.81 -163.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 65.7 p -108.03 173.29 6.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 82' ' ' SER . 11.7 mtp85 -34.89 -38.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 87.0 p -162.31 145.19 11.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.77 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.27 141.62 26.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.733 ' O ' ' O ' ' A' ' 24' ' ' VAL . 2.5 t -119.0 140.51 42.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 74' ' ' ALA . 8.1 t -133.81 128.44 34.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.971 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.478 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -119.78 117.45 53.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.345 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.554 ' CD2' ' C ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -107.01 119.99 40.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.492 ' HB1' ' O ' ' A' ' 20' ' ' ARG . . . -86.35 136.11 35.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.152 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.483 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.0 -8.57 20.19 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.487 ' OD1' ' CB ' ' A' ' 16' ' ' ALA . 29.3 p30 -80.1 1.05 29.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.65 16.13 34.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.492 ' O ' ' HB1' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -110.3 114.2 27.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.46 119.2 38.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.478 ' O ' ' O ' ' A' ' 14' ' ' VAL . 11.5 p-80 -139.27 138.28 36.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.571 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 5.6 t -118.83 127.64 53.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.384 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.733 ' O ' ' O ' ' A' ' 12' ' ' VAL . 89.0 t -120.41 132.38 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -97.72 114.39 26.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.489 ' CG2' HG22 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -124.14 168.35 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.33 154.44 62.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.43 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.574 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -74.94 -12.31 21.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.781 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 p -105.32 -4.42 21.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.435 ' CG2' ' HG2' ' A' ' 34' ' ' GLN . 4.6 m -88.77 140.43 29.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.492 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 11.7 t -77.21 137.26 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.528 ' O ' HG22 ' A' ' 35' ' ' VAL . 1.6 mt -62.98 -21.43 66.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 1.4 pp -62.52 -43.37 98.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.516 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.84 -39.54 83.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -72.21 -49.84 40.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.51 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 28.3 tp -59.0 -41.27 87.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 7.3 mm-40 -65.85 -44.28 85.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.57 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -61.75 -54.24 45.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.566 ' HA ' ' HD3' ' A' ' 42' ' ' ARG . 74.4 p -62.6 -35.06 78.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.385 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 44' ' ' ASP . 16.5 m -68.15 -36.62 79.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 108.321 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.564 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -65.49 -48.72 71.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.57 ' CD ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -74.9 -37.04 62.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.538 ' CG ' ' HB2' ' A' ' 45' ' ' PHE . 1.1 pt20 -91.66 6.31 46.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 40' ' ' CYS . 0.7 OUTLIER 38.95 68.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.784 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 m-85 -129.92 159.22 37.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.436 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 2.8 m-20 -121.86 143.02 37.5 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.434 ' CB ' HD13 ' A' ' 61' ' ' LEU . 18.5 Cg_endo -75.0 -35.63 3.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.524 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 10.8 t -64.45 -8.6 14.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.602 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 45.3 mm-40 -123.89 -2.49 8.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.784 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 19.4 m-85 -142.52 139.63 31.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.652 ' N ' ' O ' ' A' ' 79' ' ' VAL . 1.0 OUTLIER -131.32 147.74 52.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.782 ' O ' ' N ' ' A' ' 59' ' ' LEU . 0.4 OUTLIER -121.5 133.92 55.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 57' ' ' THR . 0.7 OUTLIER -147.68 142.97 27.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.525 ' CD2' ' HB ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -129.76 113.64 14.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 55.45 -104.7 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.284 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.8 14.96 22.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.272 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.525 ' HB ' ' CD2' ' A' ' 54' ' ' PHE . 4.5 m -120.19 122.01 40.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.414 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.498 ' O ' HD12 ' A' ' 63' ' ' LEU . 34.6 m -84.37 140.65 15.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.782 ' N ' ' O ' ' A' ' 52' ' ' LEU . 2.2 mm? -116.13 118.6 33.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.421 ' N ' HD11 ' A' ' 63' ' ' LEU . 11.2 t0 -140.44 -154.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.476 HD23 ' CD2' ' A' ' 36' ' ' LEU . 16.8 mt -90.43 -42.77 10.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.407 ' O ' HD21 ' A' ' 63' ' ' LEU . 78.4 p -85.09 40.68 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.029 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 58' ' ' VAL . 40.4 mt -143.52 105.23 4.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.463 ' HG3' ' CG1' ' A' ' 31' ' ' VAL . 5.4 mp0 -88.11 150.91 23.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.638 ' CE3' ' HB2' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -63.44 -40.34 96.9 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.15 -17.21 6.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -110.12 -62.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -56.94 -17.5 9.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 69' ' ' ASN . 8.4 p-10 42.21 93.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.638 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 0.2 OUTLIER -92.36 159.1 37.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.597 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.5 Cg_endo -74.95 172.46 16.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.521 1.8 . . . . 0.0 111.029 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.634 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -35.93 -91.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.77 ' C ' ' O ' ' A' ' 11' ' ' ALA . 16.1 m-20 -62.74 -1.93 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.597 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 30.72 86.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.496 ' C ' ' CD1' ' A' ' 76' ' ' LEU . 4.2 pttt -95.44 121.18 36.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.546 ' CD1' ' N ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -117.86 154.1 32.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.547 ' HA ' ' CD1' ' A' ' 15' ' ' LEU . 2.6 pt-20 -101.73 135.19 43.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.68 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -89.62 133.71 34.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.652 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.4 p -146.09 136.22 11.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.69 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.97 133.02 16.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.69 ' CG1' ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER 164.28 -163.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.524 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 61.5 p -121.47 168.14 12.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -47.34 106.1 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.6 p 41.85 90.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.985 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.564 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 74.3 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.735 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -142.37 152.67 43.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.719 ' O ' ' O ' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -118.65 140.43 42.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.663 ' O ' ' N ' ' A' ' 76' ' ' LEU . 12.1 t -130.54 129.16 42.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.034 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.574 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -119.47 117.32 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -106.25 119.27 38.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' A' ' 20' ' ' ARG . . . -85.2 134.5 40.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.4 Cg_endo -74.97 -8.4 20.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -80.08 1.81 26.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.3 15.81 36.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.535 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 12.8 mmt-85 -112.84 114.3 26.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.405 ' HG2' ' HB2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -110.34 121.93 46.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.574 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 12.1 p-80 -139.24 136.79 35.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.612 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 4.9 t -118.81 125.58 49.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.385 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.719 ' O ' ' O ' ' A' ' 12' ' ' VAL . 87.1 t -120.56 127.43 75.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.427 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 17.6 pttp -81.95 113.26 19.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.442 HG22 ' CG2' ' A' ' 12' ' ' VAL . 2.5 m -114.19 168.39 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -99.59 154.06 37.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.421 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.592 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.4 Cg_endo -74.96 -12.35 21.59 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 p -111.5 -2.53 15.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.021 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.8 140.22 29.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.422 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.526 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 4.2 m -77.11 128.6 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.481 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -56.86 -21.43 29.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.2 pp -63.2 -43.46 98.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.368 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.79 -39.89 83.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.512 ' CG2' ' N ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -72.06 -49.9 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.512 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 4.9 tt -58.79 -44.88 90.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.3 mm-40 -67.2 -42.16 84.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.278 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.602 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -61.5 -54.46 42.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.546 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 2.8 t -60.82 -34.39 74.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 110.407 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.613 ' O ' ' N ' ' A' ' 44' ' ' ASP . 8.8 m -68.3 -36.56 79.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 108.309 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.567 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -64.71 -48.74 73.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.602 ' CD ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -72.74 -36.26 67.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.56 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 1.4 pt20 -98.55 13.36 32.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.613 ' N ' ' O ' ' A' ' 40' ' ' CYS . 7.6 p-10 32.66 69.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.689 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 0.9 OUTLIER -127.59 159.47 34.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.2 m-20 -121.19 143.42 37.2 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.489 ' CB ' HD13 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -75.0 -35.7 2.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.455 1.766 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.497 ' C ' ' O ' ' A' ' 81' ' ' VAL . 10.2 t -64.47 -8.53 13.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.628 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 16.9 mt-10 -123.48 -2.52 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.689 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 22.9 m-85 -143.62 139.26 29.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.664 ' N ' ' O ' ' A' ' 79' ' ' VAL . 3.9 m-20 -131.4 147.65 52.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.807 ' O ' ' N ' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -121.43 133.84 55.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 57' ' ' THR . 0.5 OUTLIER -149.02 143.15 25.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 57' ' ' THR . 0.9 OUTLIER -124.47 113.64 18.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.43 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 10.6 tt0 56.97 -103.44 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.43 ' N ' ' HG2' ' A' ' 55' ' ' GLN . 9.6 mtt180 -110.64 14.53 22.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.529 ' O ' ' N ' ' A' ' 54' ' ' PHE . 16.7 m -117.16 135.84 53.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.445 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.501 ' O ' HD12 ' A' ' 63' ' ' LEU . 35.4 m -94.5 140.71 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.807 ' N ' ' O ' ' A' ' 52' ' ' LEU . 4.3 mm? -119.59 118.0 29.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.42 ' N ' HD11 ' A' ' 63' ' ' LEU . 9.3 t0 -140.68 -152.6 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.489 HD13 ' CB ' ' A' ' 47' ' ' PRO . 1.2 mt -90.16 -42.53 11.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.8 p -84.91 40.28 0.8 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.997 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 58' ' ' VAL . 33.7 mt -144.35 98.79 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.45 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -85.78 155.69 20.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.592 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.3 t90 -63.41 -42.64 98.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 107.989 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -56.11 -15.99 4.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -111.62 -62.11 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -60.99 -14.8 25.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 69' ' ' ASN . 8.0 p-10 41.65 92.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.494 HD22 ' CG ' ' A' ' 65' ' ' TRP . 0.3 OUTLIER -95.08 157.4 36.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.645 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.99 172.49 16.27 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.648 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -38.99 -85.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.735 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.9 OUTLIER -64.32 -1.89 1.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.645 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 28.36 82.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.478 ' C ' ' CD1' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -88.66 123.41 33.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.663 ' N ' ' O ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -118.13 154.12 32.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.611 ' HA ' HD12 ' A' ' 15' ' ' LEU . 2.3 mt-10 -102.77 133.01 48.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.429 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -86.19 130.58 34.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 110.994 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.664 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -146.17 132.06 9.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.817 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.03 132.96 15.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.452 1.764 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.817 ' HB ' ' O ' ' A' ' 80' ' ' PRO . 6.3 p 163.26 -155.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.569 ' H ' ' CG2' ' A' ' 81' ' ' VAL . 2.5 p -130.5 -172.24 2.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.71 137.83 58.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.2 t -70.52 156.37 39.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.983 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.493 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 26.3 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.734 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -146.95 144.85 29.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.732 HG22 HD21 ' A' ' 76' ' ' LEU . 1.2 t -118.88 144.92 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.823 ' O ' HD22 ' A' ' 76' ' ' LEU . 7.3 t -130.58 136.86 49.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.03 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.549 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.4 OUTLIER -119.83 117.5 53.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.642 HD21 ' OE1' ' A' ' 77' ' ' GLU . 1.3 pp -103.53 109.66 21.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.894 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -82.81 130.87 56.28 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.07 -8.07 19.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.53 1.805 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.507 ' C ' ' OD1' ' A' ' 18' ' ' ASN . 35.8 p30 -79.58 2.46 22.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.1 15.8 40.55 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.025 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.894 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -113.72 114.29 26.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 110.325 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -110.39 116.11 30.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.549 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 12.6 p-80 -139.11 138.67 37.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.563 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.594 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 3.5 t -118.74 132.08 56.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.372 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.608 ' O ' ' O ' ' A' ' 12' ' ' VAL . 79.2 t -120.44 126.39 75.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -83.75 118.09 23.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 m -122.11 168.45 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.713 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -90.45 154.25 46.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.713 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.2 Cg_endo -74.98 -12.38 21.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.433 1.754 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.3 p -109.81 -1.49 17.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.982 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.517 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.3 m -88.75 140.09 29.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.401 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.875 HG12 ' HG2' ' A' ' 64' ' ' GLN . 3.4 m -77.4 129.71 37.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.55 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -57.42 -21.31 35.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.537 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.6 pp -63.06 -45.45 92.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.71 -39.02 84.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -72.08 -50.26 38.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 14.1 tp -61.71 -41.55 97.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.537 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 13.0 mm-40 -67.14 -38.15 85.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.571 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 1.5 m-20 -66.74 -54.25 24.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.574 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 5.2 t -62.72 -34.5 77.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.368 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.586 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 20.1 m -68.33 -36.65 79.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 108.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.564 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -66.34 -48.75 69.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.574 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -73.74 -36.46 65.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.586 ' HG2' ' HA ' ' A' ' 40' ' ' CYS . 2.7 pt20 -93.75 13.13 23.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.486 ' C ' ' O ' ' A' ' 43' ' ' GLN . 4.2 p-10 33.75 69.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.703 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -130.06 159.23 37.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.977 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.43 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.6 m120 -124.47 145.22 48.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.17 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.661 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -74.97 -35.92 2.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.581 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 13.3 t -64.55 -8.57 14.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.966 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.592 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.5 mt-10 -124.0 -2.57 8.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.703 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 23.4 m-85 -143.39 139.5 30.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.894 ' C ' HD13 ' A' ' 52' ' ' LEU . 1.2 m-20 -131.27 147.41 52.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.894 HD13 ' C ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -121.6 136.1 54.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 57' ' ' THR . 1.1 tmmm? -148.7 137.42 21.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -127.94 113.76 16.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.944 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 38.1 tt0 60.65 -109.08 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.422 ' N ' ' HG2' ' A' ' 55' ' ' GLN . 7.7 mtp180 -110.73 14.89 22.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.403 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 3.1 m -120.55 127.83 52.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.441 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.529 ' C ' HD22 ' A' ' 59' ' ' LEU . 4.2 m -81.79 140.32 16.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.963 HD11 HD21 ' A' ' 70' ' ' LEU . 3.8 mm? -115.37 118.33 32.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.736 ' HB3' HD23 ' A' ' 63' ' ' LEU . 1.4 t70 -145.76 -147.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.661 HD11 ' HG3' ' A' ' 47' ' ' PRO . 9.5 mt -90.25 -40.24 12.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.88 ' C ' HD22 ' A' ' 63' ' ' LEU . 39.9 p -88.19 41.44 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.033 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.88 HD22 ' C ' ' A' ' 62' ' ' SER . 2.9 mm? -135.63 93.58 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.875 ' HG2' HG12 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -84.39 145.01 28.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.246 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.698 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.0 OUTLIER -63.51 -40.35 96.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 107.96 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.466 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 3.5 ptt180 -56.62 -17.19 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.466 ' CD2' ' HG3' ' A' ' 66' ' ' ARG . 23.0 m-85 -115.98 -60.97 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -55.64 -17.74 6.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 68' ' ' ALA . 5.7 p30 42.82 94.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.963 HD21 HD11 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -99.14 160.65 27.1 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.61 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -75.0 172.43 16.38 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.789 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.588 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -40.59 -85.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.734 ' C ' ' O ' ' A' ' 11' ' ' ALA . 1.0 OUTLIER -64.46 -1.71 1.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.61 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 27.01 83.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.981 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -90.68 120.54 31.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.981 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -115.61 152.37 33.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.642 ' OE1' HD21 ' A' ' 15' ' ' LEU . 1.8 mt-10 -101.41 133.0 46.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.55 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -90.69 134.02 34.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.732 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.3 p -146.1 134.72 10.96 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.8 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.1 Cg_endo -75.07 133.04 16.01 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.466 1.772 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.929 HG22 ' H ' ' A' ' 82' ' ' SER . 6.2 p 165.15 -166.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.929 ' H ' HG22 ' A' ' 81' ' ' VAL . 8.1 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.022 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.418 ' OG ' ' HD3' ' A' ' 28' ' ' PRO . 95.6 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.73 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.26 146.99 29.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.791 HG22 HD11 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -118.74 137.1 53.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.143 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.528 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 4.7 t -120.61 135.31 55.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.491 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.82 117.44 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -104.02 109.7 21.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.897 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -80.82 131.7 59.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.405 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.06 -8.01 19.62 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 20' ' ' ARG . 50.6 p30 -79.64 2.74 21.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.74 15.87 41.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.897 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -114.61 114.49 25.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 110.273 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -110.23 116.15 30.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.491 ' O ' ' O ' ' A' ' 14' ' ' VAL . 11.9 p-80 -139.13 138.84 37.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.587 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.528 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 3.5 t -118.02 131.7 56.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 110.389 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.62 ' O ' ' O ' ' A' ' 12' ' ' VAL . 73.3 t -120.33 126.81 75.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -86.6 121.19 28.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.6 m -125.17 168.52 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.752 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -86.52 154.23 56.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.752 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.3 Cg_endo -75.02 -12.45 21.47 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.487 1.783 . . . . 0.0 110.956 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.3 p -108.57 -4.74 16.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.969 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.823 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.4 m -87.83 139.63 30.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.423 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.928 HG11 HD23 ' A' ' 33' ' ' LEU . 17.1 t -77.98 133.33 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 63' ' ' LEU . 1.1 mt -56.93 -21.28 28.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.928 HD23 HG11 ' A' ' 31' ' ' VAL . 1.2 pp -62.88 -44.84 95.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.823 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.0 OUTLIER -67.23 -39.27 86.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.287 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -72.06 -49.48 43.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.754 HD22 ' CD2' ' A' ' 61' ' ' LEU . 4.0 tt -60.93 -41.67 96.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 12.2 mm-40 -63.51 -43.23 97.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.591 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 4.6 m-20 -60.92 -54.16 48.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.565 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 44.9 m -62.72 -34.58 77.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.408 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 44' ' ' ASP . 10.5 m -68.34 -36.56 79.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 108.301 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.564 ' HG2' ' N ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -67.4 -48.88 66.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.591 ' CD ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -75.21 -37.37 61.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.258 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.567 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 2.4 pt20 -92.38 5.92 48.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 40' ' ' CYS . 5.2 p-10 39.83 67.16 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.817 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 m-85 -127.35 159.4 34.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.463 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -121.17 144.22 39.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.634 ' CB ' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.02 -36.26 2.64 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.529 ' C ' ' O ' ' A' ' 81' ' ' VAL . 10.9 t -65.29 -8.68 19.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.619 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 2.5 mm-40 -123.7 1.46 8.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.817 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 18.3 m-85 -146.0 139.47 26.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.625 ' N ' ' O ' ' A' ' 79' ' ' VAL . 6.5 m-20 -131.32 147.24 52.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.782 ' O ' ' N ' ' A' ' 59' ' ' LEU . 1.3 mm? -121.86 136.29 54.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 11.1 ttpt -148.85 139.59 22.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.356 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.835 ' HB2' HD23 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -122.94 113.79 19.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.475 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 34.1 tt0 56.56 -104.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.475 ' N ' ' HG2' ' A' ' 55' ' ' GLN . 8.3 mtp180 -110.8 14.34 22.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.554 ' O ' ' N ' ' A' ' 54' ' ' PHE . 3.4 m -117.93 132.03 56.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.448 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.434 ' O ' HD13 ' A' ' 63' ' ' LEU . 27.4 m -90.31 140.57 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.823 ' HG ' HD22 ' A' ' 76' ' ' LEU . 4.1 mm? -117.36 118.17 31.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.415 ' N ' HD12 ' A' ' 63' ' ' LEU . 8.1 t0 -138.18 -153.61 0.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.754 ' CD2' HD22 ' A' ' 36' ' ' LEU . 5.1 mt -90.31 -42.38 10.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.4 p -85.91 40.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.74 ' O ' HD12 ' A' ' 32' ' ' LEU . 44.0 mt -143.21 110.85 5.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.892 ' HG3' HG13 ' A' ' 31' ' ' VAL . 13.7 mp0 -94.13 156.14 16.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.669 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 0.7 OUTLIER -63.37 -38.71 92.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 107.995 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.514 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 17.0 ptt180 -56.12 -27.99 56.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.514 ' CD2' ' HG3' ' A' ' 66' ' ' ARG . 30.5 m-85 -100.9 -55.65 2.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -59.26 -19.94 50.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.46 ' O ' ' O ' ' A' ' 68' ' ' ALA . 5.3 p30 40.79 93.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.703 HD21 HD11 ' A' ' 59' ' ' LEU . 5.9 mt -104.93 158.14 32.67 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.691 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -75.01 172.6 16.04 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.497 1.788 . . . . 0.0 111.021 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.627 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -35.84 -90.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.73 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -63.88 -1.93 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 71' ' ' PRO . . . 24.35 88.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.439 ' HA ' ' HB3' ' A' ' 13' ' ' SER . 0.0 OUTLIER -85.94 122.18 29.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.835 HD23 ' HB2' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -122.1 153.82 38.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -103.98 144.31 31.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.503 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -99.23 134.47 42.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.625 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.5 p -145.88 136.03 11.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.842 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.98 133.1 16.21 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.954 HG22 ' H ' ' A' ' 82' ' ' SER . 6.6 p 162.04 -154.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.954 ' H ' HG22 ' A' ' 81' ' ' VAL . 9.1 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.042 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.601 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 31.7 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.707 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.23 143.12 27.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.839 HG22 HD21 ' A' ' 76' ' ' LEU . 1.1 t -118.68 137.48 52.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.802 ' O ' HD22 ' A' ' 76' ' ' LEU . 19.5 t -123.76 135.84 54.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.452 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.92 117.47 53.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.472 HD21 ' OE2' ' A' ' 77' ' ' GLU . 1.4 pp -102.55 109.58 21.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.908 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -81.58 131.07 59.12 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.99 -8.14 19.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.43 ' OD1' ' C ' ' A' ' 18' ' ' ASN . 18.5 p30 -79.67 3.5 18.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.91 15.75 44.32 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.446 1.091 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.908 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 1.5 mmt180 -114.04 114.39 26.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.25 116.01 30.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.452 ' O ' ' O ' ' A' ' 14' ' ' VAL . 3.0 p80 -139.19 138.6 37.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.581 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.578 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 0.5 OUTLIER -118.77 131.94 56.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.345 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.615 ' O ' ' O ' ' A' ' 12' ' ' VAL . 73.6 t -120.31 123.51 70.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.44 111.37 14.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.618 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.0 m -112.22 168.42 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.925 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -96.23 154.28 38.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.363 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.925 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.3 Cg_endo -75.01 -12.72 21.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.778 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 p -110.91 -5.51 14.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.972 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.448 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.6 m -87.94 140.15 29.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.439 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.976 HG12 ' CG ' ' A' ' 64' ' ' GLN . 6.0 m -77.38 127.48 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.829 HD13 HD23 ' A' ' 59' ' ' LEU . 5.8 mt -56.91 -21.43 29.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.5 pp -64.08 -45.15 90.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.61 -38.96 84.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.562 HG13 ' O ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -72.03 -50.05 39.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.613 HD23 ' CD2' ' A' ' 61' ' ' LEU . 16.5 tp -60.01 -39.4 85.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 6.8 mm-40 -64.68 -44.03 91.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.523 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 5.3 m-20 -60.11 -54.18 48.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.584 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 64.0 m -62.11 -34.85 77.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.413 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.509 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 17.2 m -68.17 -36.62 79.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 108.327 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.565 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 2.6 ptt180 -68.02 -48.88 64.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.584 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.3 OUTLIER -74.93 -37.26 62.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.555 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 1.8 pt20 -90.76 3.47 54.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 40' ' ' CYS . 3.0 p-10 42.72 66.66 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.799 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.2 m-85 -128.02 159.28 35.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.5 m-20 -123.13 144.32 43.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.896 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -74.99 -35.26 3.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.524 ' C ' ' O ' ' A' ' 81' ' ' VAL . 30.0 t -66.47 -8.35 25.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.634 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.4 mm-40 -123.35 1.36 9.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.799 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 17.5 m-85 -146.65 139.17 25.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.67 ' N ' ' O ' ' A' ' 79' ' ' VAL . 4.0 m-20 -131.58 147.68 52.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.761 ' O ' ' N ' ' A' ' 59' ' ' LEU . 10.3 mt -121.47 133.92 55.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 57' ' ' THR . 3.7 tmmm? -147.89 138.73 23.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.43 ' CE1' ' HG3' ' A' ' 55' ' ' GLN . 4.1 t80 -124.71 113.7 18.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.43 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 9.7 mt-30 59.63 -107.3 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.351 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.2 mmp_? -110.88 14.98 22.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.451 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 2.7 m -120.96 120.95 36.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.658 ' O ' HD13 ' A' ' 63' ' ' LEU . 27.0 m -81.97 140.68 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.861 HD21 HD21 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -119.4 125.12 48.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.631 ' N ' HD12 ' A' ' 63' ' ' LEU . 1.8 t70 -142.07 -149.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.896 HD11 ' HG3' ' A' ' 47' ' ' PRO . 96.0 mt -90.21 -40.38 12.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.5 p -85.63 38.27 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.813 ' O ' HD12 ' A' ' 32' ' ' LEU . 31.6 mt -142.07 107.71 5.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.976 ' CG ' HG12 ' A' ' 31' ' ' VAL . 19.2 mp0 -93.99 157.26 16.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.698 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.2 t90 -63.36 -43.06 98.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 108.019 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -56.2 -15.89 4.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -111.53 -61.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -60.4 -17.73 45.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.459 ' O ' ' O ' ' A' ' 68' ' ' ALA . 8.1 p-10 42.5 95.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.861 HD21 HD21 ' A' ' 59' ' ' LEU . 5.8 mt -102.78 157.74 33.13 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.708 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -75.0 172.46 16.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.788 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.646 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -37.76 -87.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.707 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -63.69 -1.94 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 71' ' ' PRO . . . 22.33 90.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 1.03 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -93.42 121.0 34.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.03 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -116.82 153.21 32.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.472 ' OE2' HD21 ' A' ' 15' ' ' LEU . 2.6 mt-10 -101.93 132.76 47.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.489 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -88.89 135.43 33.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.953 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.67 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.1 m -146.06 135.99 11.82 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.852 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.99 132.99 16.06 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.526 1.803 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.949 HG22 ' H ' ' A' ' 82' ' ' SER . 6.8 p 160.79 -154.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.949 ' H ' HG22 ' A' ' 81' ' ' VAL . 10.1 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.506 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 1.8 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.685 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.23 141.91 26.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.783 HG22 HD21 ' A' ' 76' ' ' LEU . 1.2 t -118.75 143.76 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.794 ' O ' HD22 ' A' ' 76' ' ' LEU . 30.0 t -129.76 135.75 48.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.988 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.474 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.73 117.48 53.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.647 HD21 ' OE1' ' A' ' 77' ' ' GLU . 1.3 pp -103.79 109.78 21.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.91 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -82.54 130.82 57.27 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.05 -8.16 19.77 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.52 ' OD1' ' HB2' ' A' ' 20' ' ' ARG . 40.8 p30 -79.71 1.47 26.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.24 15.92 36.79 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.91 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 7.7 mmp_? -113.97 114.49 26.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.15 115.97 30.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.474 ' O ' ' O ' ' A' ' 14' ' ' VAL . 11.9 p-80 -139.26 138.68 36.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.562 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.579 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 4.7 t -118.79 132.71 56.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.372 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.585 ' O ' ' O ' ' A' ' 12' ' ' VAL . 53.6 t -120.61 128.63 76.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.234 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.99 116.73 23.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.414 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.5 m -119.49 168.41 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.682 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -92.24 154.22 43.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.46 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.706 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.2 Cg_endo -74.99 -12.7 21.53 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.487 1.783 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 p -111.03 -3.2 15.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -88.74 140.06 29.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.688 HG12 ' CG ' ' A' ' 64' ' ' GLN . 13.3 m -77.24 127.34 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.951 HD13 HD12 ' A' ' 59' ' ' LEU . 65.3 mt -56.93 -21.22 28.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.503 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.8 pp -63.02 -45.59 91.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.612 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.75 -37.84 82.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.612 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.3 -48.09 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.483 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 19.5 tp -62.78 -37.64 87.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 5.7 mm-40 -65.97 -43.46 87.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.489 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 1.4 m-20 -62.36 -53.98 47.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.561 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 6.2 m -59.84 -36.67 77.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.407 1.067 . . . . 0.0 110.412 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.509 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 16.5 m -68.21 -36.69 79.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 108.309 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.563 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -68.04 -48.96 64.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.107 . . . . 0.0 110.321 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.563 ' N ' ' CG ' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -74.99 -37.29 61.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.567 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 1.5 pt20 -90.77 3.22 54.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' CYS . 1.3 p30 42.68 66.2 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.795 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.2 m-85 -127.36 159.2 35.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.447 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 4.8 t30 -122.77 143.98 41.56 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 50' ' ' TYR . 18.3 Cg_endo -75.02 -35.86 2.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.514 ' C ' ' O ' ' A' ' 81' ' ' VAL . 47.7 t -65.39 -8.33 18.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.634 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 2.6 mm-40 -123.58 -0.09 8.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.27 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.795 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 15.0 m-85 -145.95 139.34 26.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.679 ' N ' ' O ' ' A' ' 79' ' ' VAL . 6.5 m-20 -131.42 147.58 52.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.741 ' O ' ' N ' ' A' ' 59' ' ' LEU . 4.5 mp -121.54 136.96 54.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 57' ' ' THR . 3.1 tmmm? -149.05 143.23 25.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.482 ' HB3' ' CD2' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -134.3 113.71 12.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.462 ' CG ' ' N ' ' A' ' 56' ' ' ARG . 3.7 tp60 58.95 -108.04 0.38 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.462 ' N ' ' CG ' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -110.72 14.93 22.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.137 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.406 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 3.0 m -120.57 126.62 50.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.406 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.4 ' HA ' ' HG2' ' A' ' 53' ' ' LYS . 4.3 m -83.79 140.36 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.951 HD12 HD13 ' A' ' 32' ' ' LEU . 4.3 mm? -113.55 117.14 30.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.699 ' HB3' HD23 ' A' ' 63' ' ' LEU . 3.4 t0 -144.36 -148.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.408 HD11 ' CG ' ' A' ' 47' ' ' PRO . 16.6 mt -90.1 -38.14 13.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.849 ' C ' HD22 ' A' ' 63' ' ' LEU . 38.9 p -88.7 39.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.849 HD22 ' C ' ' A' ' 62' ' ' SER . 3.0 mm? -135.95 102.2 4.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.688 ' CG ' HG12 ' A' ' 31' ' ' VAL . 22.5 mp0 -93.93 147.93 22.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.706 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.1 t90 -63.31 -42.99 99.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -57.28 -15.85 7.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -112.85 -63.58 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -58.54 -13.97 6.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.428 ' ND2' ' C ' ' A' ' 68' ' ' ALA . 5.3 p30 40.7 90.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.73 HD11 HD11 ' A' ' 59' ' ' LEU . 54.7 mt -95.47 161.26 28.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.649 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -75.03 172.45 16.34 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.59 1.837 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.581 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -45.34 -76.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.685 ' C ' ' O ' ' A' ' 11' ' ' ALA . 1.6 m-20 -68.13 -1.82 6.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.649 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 24.05 84.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 1.019 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -90.86 122.68 33.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.019 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -121.07 149.5 42.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.647 ' OE1' HD21 ' A' ' 15' ' ' LEU . 1.6 mt-10 -101.67 135.17 43.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.414 ' HE3' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -90.92 136.39 33.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.679 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -146.1 136.45 12.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.869 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.03 132.98 15.99 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.932 HG22 ' H ' ' A' ' 82' ' ' SER . 6.3 p 159.87 -153.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.932 ' H ' HG22 ' A' ' 81' ' ' VAL . 77.8 p . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.487 ' OG ' ' CZ2' ' A' ' 65' ' ' TRP . 1.4 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.783 ' HB3' ' HA ' ' A' ' 73' ' ' ASN . . . -147.12 140.96 25.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.731 HG22 HD21 ' A' ' 76' ' ' LEU . 1.2 t -118.82 132.32 69.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.825 ' O ' HD22 ' A' ' 76' ' ' LEU . 11.3 t -122.05 135.23 54.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.961 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.556 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.64 117.31 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.256 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 15' ' ' LEU . 1.4 pp -102.23 109.65 21.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 1.075 ' HB1' ' OD1' ' A' ' 18' ' ' ASN . . . -82.77 131.25 55.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.02 -8.33 19.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.791 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 1.075 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 1.1 p-10 -79.86 6.03 12.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.97 15.89 52.79 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.926 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 3.5 mmt-85 -113.7 114.44 26.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.774 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.3 115.98 30.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.556 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 9.1 p-80 -139.26 138.61 36.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.605 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.58 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 4.5 t -118.84 132.95 56.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.403 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.643 ' O ' ' O ' ' A' ' 12' ' ' VAL . 77.8 t -120.48 124.38 72.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.17 113.03 19.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.407 1.067 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.479 HG22 ' HB ' ' A' ' 12' ' ' VAL . 3.8 m -117.49 168.52 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.661 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -90.28 154.33 46.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.661 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.3 Cg_endo -74.98 -12.3 21.54 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.474 1.776 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 p -109.6 -2.33 17.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.027 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -87.56 140.38 29.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.409 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.942 HG12 ' HG2' ' A' ' 64' ' ' GLN . 11.9 m -77.08 126.94 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.731 HD13 HD12 ' A' ' 59' ' ' LEU . 4.2 mt -56.7 -21.45 27.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.524 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.3 pp -64.14 -44.06 93.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.654 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.89 -37.25 81.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.654 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.46 -50.22 36.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 13.5 tp -60.48 -39.52 87.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 5.2 mm-40 -65.43 -44.44 87.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.33 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.562 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 1.2 m-20 -59.85 -54.1 50.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.575 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 13.0 p -63.1 -35.23 79.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.391 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.526 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 15.4 m -68.14 -36.64 80.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.321 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.567 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -67.97 -48.8 64.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.575 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -75.12 -37.38 61.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.551 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 2.9 pt20 -91.43 4.51 52.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 40' ' ' CYS . 3.5 p-10 41.4 66.95 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.818 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.2 m-85 -127.77 159.35 35.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.439 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 2.2 m-20 -122.53 145.41 44.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.873 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.07 -35.13 3.27 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.543 1.812 . . . . 0.0 111.035 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.536 ' C ' ' O ' ' A' ' 81' ' ' VAL . 10.2 t -66.28 -8.4 24.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.636 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.6 mt-10 -123.56 0.68 8.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.818 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 18.7 m-85 -147.47 139.48 24.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.624 ' HB2' HG12 ' A' ' 81' ' ' VAL . 7.0 m-20 -131.33 147.7 52.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.79 ' O ' ' N ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -121.37 134.0 55.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 57' ' ' THR . 3.9 tmmm? -147.09 142.83 27.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.534 ' CE2' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -130.14 113.65 14.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 56.78 -105.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.88 14.84 22.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.433 ' HB ' ' CD2' ' A' ' 54' ' ' PHE . 5.8 m -120.46 123.01 41.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.41 ' O ' HD13 ' A' ' 63' ' ' LEU . 29.2 m -82.9 140.66 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.976 HD11 HD21 ' A' ' 70' ' ' LEU . 4.0 mm? -115.86 117.63 30.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.444 ' N ' HD12 ' A' ' 63' ' ' LEU . 7.7 t0 -139.17 -154.14 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.873 HD11 ' HG3' ' A' ' 47' ' ' PRO . 51.4 mt -90.25 -42.59 10.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.42 ' O ' HD23 ' A' ' 63' ' ' LEU . 88.1 p -85.02 39.57 0.77 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.71 ' O ' HD12 ' A' ' 32' ' ' LEU . 23.9 mt -144.55 109.12 4.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.942 ' HG2' HG12 ' A' ' 31' ' ' VAL . 14.4 mp0 -94.03 157.18 16.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.657 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 0.8 OUTLIER -63.34 -42.33 98.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 108.006 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 ptm85 -56.77 -15.97 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -111.64 -61.58 1.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.442 ' C ' ' ND2' ' A' ' 69' ' ' ASN . . . -56.78 -17.65 9.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.442 ' ND2' ' C ' ' A' ' 68' ' ' ALA . 5.2 p30 42.05 92.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.976 HD21 HD11 ' A' ' 59' ' ' LEU . 1.3 mt -103.88 162.48 19.81 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.614 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.98 172.37 16.5 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.575 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -43.42 -82.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.783 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 32.4 t-20 -61.84 -2.68 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 11' ' ' ALA . . . 23.23 89.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.913 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -94.26 116.1 28.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.913 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -111.75 150.45 30.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 3.8 pt-20 -101.53 133.38 46.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.246 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.454 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -90.31 128.03 36.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.593 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.8 m -139.86 137.18 18.04 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.858 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.01 132.95 15.98 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.926 HG22 ' H ' ' A' ' 82' ' ' SER . 7.9 p 160.3 -150.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.926 ' H ' HG22 ' A' ' 81' ' ' VAL . 56.9 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.506 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 4.3 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.76 ' HB3' ' HA ' ' A' ' 73' ' ' ASN . . . -147.24 140.19 25.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.007 ' CG1' HD21 ' A' ' 76' ' ' LEU . 2.7 t -119.22 143.28 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.734 ' O ' HD22 ' A' ' 76' ' ' LEU . 47.9 t -134.18 133.77 41.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.981 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.5 OUTLIER -119.92 117.52 53.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pp -103.02 109.75 21.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.922 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -83.29 130.74 55.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -74.95 -8.1 19.82 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.473 1.775 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 20' ' ' ARG . 45.8 p30 -79.55 4.31 16.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.78 15.75 48.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.922 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -114.38 114.29 25.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 110.323 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.35 116.18 30.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' A' ' 14' ' ' VAL . 4.8 p80 -137.97 138.61 39.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.565 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 3.5 t -118.83 133.52 55.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.416 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.614 ' O ' ' O ' ' A' ' 12' ' ' VAL . 62.4 t -120.52 131.93 71.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.6 111.86 23.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.895 HG22 HG21 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -125.28 168.54 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.627 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -82.22 153.61 69.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.375 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.632 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.4 Cg_endo -75.0 -13.68 21.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.9 p -101.41 -3.02 29.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.77 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.8 m -88.68 139.95 29.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.955 HG11 HD23 ' A' ' 33' ' ' LEU . 13.0 t -77.45 132.97 31.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.616 HD11 HD11 ' A' ' 70' ' ' LEU . 1.8 mt -57.35 -21.4 35.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.955 HD23 HG11 ' A' ' 31' ' ' VAL . 1.6 pp -62.38 -44.81 95.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.77 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.0 OUTLIER -67.71 -40.74 84.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -72.26 -48.27 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.683 HD22 HD21 ' A' ' 61' ' ' LEU . 8.2 tt -58.7 -45.85 88.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 6.8 mm-40 -64.99 -38.31 90.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.592 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 4.8 m-20 -59.79 -54.27 48.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.641 HG23 ' OE1' ' A' ' 43' ' ' GLN . 5.3 t -66.11 -34.3 77.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.386 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.539 ' SG ' HD23 ' A' ' 36' ' ' LEU . 13.1 m -67.9 -36.53 80.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 108.331 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.569 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.38 -48.99 65.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.592 ' CD ' ' O ' ' A' ' 38' ' ' ASP . 0.3 OUTLIER -75.14 -37.46 61.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.641 ' OE1' HG23 ' A' ' 39' ' ' THR . 2.5 pt20 -91.37 4.06 53.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 40' ' ' CYS . 8.8 p-10 41.81 66.98 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.809 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.2 m-85 -127.65 159.29 35.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -121.1 145.39 41.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.849 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.03 -34.9 3.44 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.542 ' C ' ' O ' ' A' ' 81' ' ' VAL . 8.8 t -65.73 -8.4 20.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.613 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 18.4 mt-10 -123.05 -0.67 8.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.809 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 27.0 m-85 -146.83 139.35 24.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.678 ' HB2' HG12 ' A' ' 81' ' ' VAL . 6.6 m-20 -131.28 147.57 52.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.794 ' O ' ' N ' ' A' ' 59' ' ' LEU . 3.3 mp -121.68 133.9 54.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 57' ' ' THR . 2.2 ttpt -148.54 143.16 26.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.607 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -129.52 113.85 15.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.443 ' CG ' ' N ' ' A' ' 56' ' ' ARG . 5.5 tt0 60.09 -106.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.443 ' N ' ' CG ' ' A' ' 55' ' ' GLN . 3.1 mtm105 -110.64 14.81 22.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.5 ' HB ' ' CD2' ' A' ' 54' ' ' PHE . 8.7 m -118.78 128.19 54.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.481 ' O ' HD13 ' A' ' 63' ' ' LEU . 35.8 m -89.44 140.59 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.94 HD13 ' HB3' ' A' ' 76' ' ' LEU . 0.9 OUTLIER -116.03 120.04 37.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.416 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.0 t0 -139.66 -152.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.849 HD11 ' CG ' ' A' ' 47' ' ' PRO . 14.5 mt -90.34 -42.49 10.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 95.4 p -85.9 40.74 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.941 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.495 ' O ' HD12 ' A' ' 32' ' ' LEU . 34.7 mt -144.71 111.17 5.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.798 ' HG3' HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -93.67 157.16 16.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.864 ' CE3' HD12 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -63.43 -45.4 91.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 107.998 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -58.36 -14.17 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -103.67 -62.98 1.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.494 ' C ' ' ND2' ' A' ' 69' ' ' ASN . . . -65.97 -11.7 49.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.494 ' ND2' ' C ' ' A' ' 68' ' ' ALA . 1.9 p30 41.48 93.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.864 HD12 ' CE3' ' A' ' 65' ' ' TRP . 5.2 mt -95.39 161.19 28.74 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.686 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.96 172.46 16.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.771 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.619 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -40.71 -82.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.76 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 1.1 t-20 -65.13 -1.84 2.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.686 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 27.19 88.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.997 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -98.24 117.72 33.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.007 HD21 ' CG1' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -114.82 154.11 29.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -101.8 131.09 48.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.416 ' O ' ' HG3' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -85.9 134.77 33.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.612 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -146.1 136.05 11.85 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.838 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.97 132.89 15.97 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.924 HG22 ' H ' ' A' ' 82' ' ' SER . 8.8 p 161.17 -149.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.924 ' H ' HG22 ' A' ' 81' ' ' VAL . 51.8 p . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.571 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 60.8 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.747 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -146.5 144.2 29.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.962 HG22 HD21 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -118.72 131.52 71.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.891 ' O ' HD22 ' A' ' 76' ' ' LEU . 8.6 t -120.6 131.49 54.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.609 HG13 ' HB2' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -119.71 117.3 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.881 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -106.62 122.25 45.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -88.11 135.94 32.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.04 -8.58 20.16 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.406 ' OD1' ' C ' ' A' ' 18' ' ' ASN . 15.5 p30 -80.04 2.36 24.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.37 15.92 39.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.681 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 1.4 mtt180 -111.11 114.28 27.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 0.757 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.436 ' NE ' ' HB2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -110.38 119.99 40.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.537 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 10.2 p-80 -139.26 134.49 32.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.587 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 3.6 t -118.71 126.98 53.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.445 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.765 ' O ' ' O ' ' A' ' 12' ' ' VAL . 59.1 t -120.46 123.43 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.86 113.78 21.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.579 HG22 ' HB ' ' A' ' 12' ' ' VAL . 2.9 m -119.5 168.56 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.26 154.41 44.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.369 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.682 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.2 Cg_endo -75.05 -12.21 21.4 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 p -108.99 -2.91 17.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.528 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.5 m -88.7 140.23 29.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.425 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.927 HG12 ' HG2' ' A' ' 64' ' ' GLN . 5.2 m -77.28 128.82 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.527 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -56.81 -21.08 26.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.57 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.7 pp -63.51 -45.45 90.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.247 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.528 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.0 OUTLIER -67.67 -39.18 84.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -72.27 -49.87 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.511 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 11.2 tp -61.42 -43.05 99.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.57 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.6 mm-40 -61.63 -44.22 97.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.317 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.551 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -64.76 -54.28 33.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.576 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 89.1 m -57.19 -35.69 69.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.563 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 13.6 m -68.18 -36.52 79.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 108.307 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.561 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -67.33 -48.46 67.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.576 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -74.79 -37.34 62.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 110.306 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.578 ' CG ' ' HB2' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -94.69 10.11 36.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 40' ' ' CYS . 1.7 p30 34.87 66.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.578 ' HB2' ' CG ' ' A' ' 43' ' ' GLN . 1.1 m-30 -126.41 159.28 33.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.439 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 0.8 OUTLIER -123.58 142.11 38.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.506 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.5 Cg_endo -74.93 -35.75 3.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.501 ' C ' ' O ' ' A' ' 81' ' ' VAL . 30.7 t -65.54 -8.43 19.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.973 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.605 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.8 mm-40 -123.6 -0.4 8.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.514 ' N ' ' O ' ' A' ' 81' ' ' VAL . 21.5 m-85 -146.94 139.38 24.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.683 ' N ' ' O ' ' A' ' 79' ' ' VAL . 5.2 m-20 -131.31 147.33 52.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.721 ' O ' ' N ' ' A' ' 59' ' ' LEU . 19.5 mt -121.69 137.21 54.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -148.68 143.16 26.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.46 ' CZ ' ' HG3' ' A' ' 71' ' ' PRO . 1.1 t80 -132.75 113.8 13.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 58.23 -107.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -110.56 14.85 22.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.6 m -119.92 133.07 55.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.515 ' C ' HD22 ' A' ' 59' ' ' LEU . 18.6 m -89.42 140.31 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.791 HD11 HD11 ' A' ' 70' ' ' LEU . 2.7 mm? -115.2 119.69 37.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.749 ' HB3' HD23 ' A' ' 63' ' ' LEU . 5.1 t0 -150.39 -149.43 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.506 HD11 ' CG ' ' A' ' 47' ' ' PRO . 0.8 OUTLIER -89.89 -42.25 11.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.77 ' C ' HD22 ' A' ' 63' ' ' LEU . 44.8 p -87.2 40.96 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.77 HD22 ' C ' ' A' ' 62' ' ' SER . 3.3 mm? -137.59 96.57 3.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.927 ' HG2' HG12 ' A' ' 31' ' ' VAL . 2.8 mp0 -82.83 147.0 28.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.682 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.4 t90 -63.34 -41.73 98.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 108.023 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -56.34 -16.05 4.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -112.32 -54.72 2.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -64.52 -17.47 63.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 69' ' ' ASN . 8.5 p-10 39.52 91.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.791 HD11 HD11 ' A' ' 59' ' ' LEU . 25.1 mt -98.41 159.93 29.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.643 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -74.98 172.51 16.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.781 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.638 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -35.05 -90.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.747 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -64.27 -1.96 1.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.643 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 28.63 92.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 1.024 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -90.41 124.62 35.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.024 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -118.23 151.73 37.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.541 ' HA ' HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -101.36 129.56 47.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.424 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -86.63 132.8 33.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.683 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.2 m -146.15 134.64 10.88 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.863 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.06 133.09 16.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.944 HG22 ' H ' ' A' ' 82' ' ' SER . 7.3 p 160.61 -152.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.944 ' H ' HG22 ' A' ' 81' ' ' VAL . 47.0 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.469 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 28.9 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.754 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -145.25 143.47 30.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.75 HG22 HD21 ' A' ' 76' ' ' LEU . 1.1 t -118.93 143.63 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.879 ' O ' HD22 ' A' ' 76' ' ' LEU . 39.8 t -127.36 137.63 52.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.484 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.5 OUTLIER -119.79 117.54 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -104.18 109.64 21.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.893 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -83.69 131.37 52.37 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 16' ' ' ALA . 18.3 Cg_endo -75.02 -8.07 19.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.799 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.494 ' ND2' ' HB1' ' A' ' 16' ' ' ALA . 10.8 p30 -79.71 4.36 16.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.87 15.87 47.32 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.893 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 3.8 mmt85 -113.99 114.37 26.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.757 . . . . 0.0 110.26 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.38 116.02 30.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.484 ' O ' ' O ' ' A' ' 14' ' ' VAL . 11.8 p-80 -139.23 138.36 36.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.596 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.593 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 5.0 t -118.75 132.48 56.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.632 ' O ' ' O ' ' A' ' 12' ' ' VAL . 60.2 t -120.55 128.72 76.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 7.8 pttt -84.34 115.49 22.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 m -114.01 168.47 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.639 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -92.71 154.2 42.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.356 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.676 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.2 Cg_endo -74.98 -12.3 21.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.537 1.809 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.0 p -112.3 -5.69 14.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.453 HG23 ' NE2' ' A' ' 34' ' ' GLN . 2.1 m -88.81 140.15 29.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.365 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.967 HG11 HD23 ' A' ' 33' ' ' LEU . 16.9 t -77.35 145.23 10.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.612 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -68.48 -21.35 64.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.967 HD23 HG11 ' A' ' 31' ' ' VAL . 1.8 pp -60.3 -43.66 96.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.616 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.78 -39.52 84.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.616 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.46 -48.52 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.693 HD23 ' SG ' ' A' ' 40' ' ' CYS . 5.5 tt -58.65 -46.44 87.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 3.7 mm-40 -66.79 -39.26 87.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.622 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -60.04 -54.37 46.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.579 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 9.6 t -65.92 -34.28 77.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.693 ' SG ' HD23 ' A' ' 36' ' ' LEU . 13.2 m -67.49 -36.35 80.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 108.273 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.725 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.14 -48.62 67.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.725 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -75.2 -37.37 61.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.583 ' HG2' ' HA ' ' A' ' 40' ' ' CYS . 3.9 pt20 -93.2 7.55 43.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 40' ' ' CYS . 3.8 p-10 38.24 67.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.77 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 m-85 -127.45 159.39 34.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -122.82 145.21 44.81 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.535 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.0 -34.86 3.5 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.5 1.789 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.501 ' C ' ' O ' ' A' ' 81' ' ' VAL . 7.7 t -65.2 -8.41 17.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.592 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.5 mm-40 -123.58 -0.87 8.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.77 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 20.8 m-85 -146.47 139.27 25.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.678 ' HB2' HG12 ' A' ' 81' ' ' VAL . 3.7 m-20 -131.46 147.27 52.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.787 ' O ' ' N ' ' A' ' 59' ' ' LEU . 1.8 mp -121.79 134.77 54.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -148.99 143.15 25.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.533 ' CE1' ' HG3' ' A' ' 55' ' ' GLN . 0.4 OUTLIER -129.67 113.76 15.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.533 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 21.1 mm-40 58.89 -106.27 0.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.3 mtt-85 -110.71 14.8 22.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.6 m -118.55 135.38 54.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.417 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.59 ' C ' HD22 ' A' ' 59' ' ' LEU . 4.2 m -91.08 140.4 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.787 ' N ' ' O ' ' A' ' 52' ' ' LEU . 2.6 mm? -117.87 118.0 30.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.699 ' CB ' HD23 ' A' ' 63' ' ' LEU . 1.1 t70 -146.44 -146.81 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.535 HD11 ' CG ' ' A' ' 47' ' ' PRO . 1.6 mt -90.18 -39.74 12.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.803 ' C ' HD22 ' A' ' 63' ' ' LEU . 39.4 p -87.42 40.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.803 HD22 ' C ' ' A' ' 62' ' ' SER . 3.1 mm? -132.9 99.4 4.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.899 ' HG3' HG13 ' A' ' 31' ' ' VAL . 11.7 mp0 -90.21 144.52 25.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.691 ' HA ' HD22 ' A' ' 70' ' ' LEU . 1.3 t90 -63.28 -39.32 94.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 108.009 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -60.63 -12.41 10.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -116.42 -62.22 1.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -60.2 -16.23 31.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 69' ' ' ASN . 8.2 p-10 40.91 87.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.691 HD22 ' HA ' ' A' ' 65' ' ' TRP . 0.4 OUTLIER -87.56 158.56 51.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.608 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.97 172.46 16.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.511 1.795 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.619 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -36.97 -89.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.754 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.9 OUTLIER -64.65 -1.82 2.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.608 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 27.98 85.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 1.011 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -89.95 123.49 33.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.011 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -117.74 152.18 35.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 1.8 pt-20 -101.39 131.16 47.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.84 133.15 34.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.612 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.7 p -145.98 137.13 12.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.846 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.01 132.85 15.87 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.929 HG22 ' H ' ' A' ' 82' ' ' SER . 5.9 p 161.39 -154.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.929 ' H ' HG22 ' A' ' 81' ' ' VAL . 58.6 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.403 ' OG ' ' HD3' ' A' ' 28' ' ' PRO . 20.9 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.75 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.11 142.66 27.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.945 HG12 HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -118.91 131.72 70.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.734 ' O ' ' N ' ' A' ' 76' ' ' LEU . 8.9 t -118.43 129.76 55.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.693 HG13 ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -119.77 117.1 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.697 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -107.04 123.64 48.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -87.63 136.67 32.67 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.488 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.98 -8.42 20.08 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.54 1.811 . . . . 0.0 111.055 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.535 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 32.4 p-10 -79.97 -0.05 33.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.36 15.8 31.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.635 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -111.32 114.17 27.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 110.301 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.44 118.09 35.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.597 ' O ' ' O ' ' A' ' 14' ' ' VAL . 8.7 p-80 -139.13 138.02 36.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.655 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.496 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 2.4 t -118.72 129.74 55.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.377 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.67 ' O ' ' O ' ' A' ' 12' ' ' VAL . 97.0 t -120.38 123.37 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.13 113.05 25.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.731 HG22 ' CG2' ' A' ' 12' ' ' VAL . 1.1 m -118.04 168.58 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.494 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -84.04 154.48 63.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.689 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -75.01 -12.29 21.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.8 p -109.91 -2.01 17.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 110.043 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.407 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.2 m -88.83 140.32 29.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.366 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.637 HG12 ' CG ' ' A' ' 64' ' ' GLN . 3.9 m -77.2 129.56 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.787 HD12 ' O ' ' A' ' 63' ' ' LEU . 6.6 mt -58.74 -21.31 54.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.535 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.7 pp -62.2 -45.91 91.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.513 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.51 -39.73 85.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -72.09 -48.92 47.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.037 HD22 HD21 ' A' ' 61' ' ' LEU . 7.8 tt -58.52 -44.84 89.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.535 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.5 mm-40 -66.72 -38.62 87.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.55 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -59.99 -54.24 48.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.591 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 5.0 t -60.84 -34.49 74.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.379 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.529 ' O ' ' N ' ' A' ' 44' ' ' ASP . 9.2 m -68.17 -36.63 79.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 108.293 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.703 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.91 -48.59 65.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.703 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -75.11 -37.32 61.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.248 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.557 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 3.1 pt20 -93.49 7.23 45.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 40' ' ' CYS . 1.3 p30 38.87 67.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.822 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 m-85 -127.65 159.36 34.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -118.93 141.0 29.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.7 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -75.0 -34.21 4.0 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.554 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 39.2 t -65.01 -8.54 16.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.573 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 63.6 mt-10 -123.77 -1.78 8.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.822 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 20.1 m-85 -141.71 139.43 32.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.621 ' CG ' HG23 ' A' ' 81' ' ' VAL . 19.9 m-20 -131.24 147.42 52.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.772 ' O ' ' N ' ' A' ' 59' ' ' LEU . 3.6 mp -121.64 136.03 54.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 57' ' ' THR . 26.2 ttpt -146.61 140.15 25.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.582 ' CZ ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -129.42 113.86 15.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.472 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 2.9 mt-30 59.6 -107.96 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.55 14.4 22.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.456 ' HB ' ' CD2' ' A' ' 54' ' ' PHE . 13.9 m -119.15 133.25 55.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.5 ' C ' HD22 ' A' ' 59' ' ' LEU . 13.8 m -88.63 140.46 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.995 ' HG ' HD22 ' A' ' 76' ' ' LEU . 2.9 mm? -113.71 117.8 32.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -147.62 -159.97 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.037 HD21 HD22 ' A' ' 36' ' ' LEU . 10.7 mt -90.27 10.6 24.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.739 ' C ' HD22 ' A' ' 63' ' ' LEU . 5.2 p -132.41 34.91 3.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.978 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.787 ' O ' HD12 ' A' ' 32' ' ' LEU . 2.8 mm? -142.6 110.56 5.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.637 ' CG ' HG12 ' A' ' 31' ' ' VAL . 1.1 mp0 -94.13 148.37 22.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.735 ' CE3' HD23 ' A' ' 70' ' ' LEU . 1.2 t-105 -63.34 -40.36 97.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 108.033 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -57.36 -16.49 9.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -113.2 -52.85 2.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.408 ' C ' ' OD1' ' A' ' 69' ' ' ASN . . . -64.82 -20.71 66.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.438 ' C ' HD13 ' A' ' 70' ' ' LEU . 8.8 p-10 40.65 88.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.735 HD23 ' CE3' ' A' ' 65' ' ' TRP . 0.2 OUTLIER -91.51 159.87 37.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.644 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.1 Cg_endo -75.05 172.49 16.27 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.64 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -32.76 -93.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.75 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -64.86 -1.95 2.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.671 ' HB1' ' HB3' ' A' ' 70' ' ' LEU . . . 30.23 86.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.58 125.04 29.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.995 HD22 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -122.13 153.57 38.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.584 ' HA ' HD13 ' A' ' 15' ' ' LEU . 2.5 pt-20 -106.7 135.89 47.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.257 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.488 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -93.77 132.53 38.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.975 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.571 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.6 p -146.12 133.99 10.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.956 ' O ' HG13 ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.92 133.12 16.32 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.493 1.786 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.956 HG13 ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER 165.72 -161.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.554 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 48.4 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.415 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 37.4 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.745 ' HB3' ' HA ' ' A' ' 73' ' ' ASN . . . -147.06 140.11 25.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.274 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.771 HG22 HD21 ' A' ' 76' ' ' LEU . 1.2 t -118.81 139.76 45.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.723 ' O ' HD22 ' A' ' 76' ' ' LEU . 3.8 t -127.92 133.18 49.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.46 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.4 OUTLIER -119.84 117.39 53.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.403 ' HG ' ' HA ' ' A' ' 77' ' ' GLU . 1.3 pp -103.22 109.65 21.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.927 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -82.74 131.43 54.68 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.5 Cg_endo -74.95 -8.08 19.79 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.807 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 20' ' ' ARG . 47.0 p-10 -79.63 4.29 16.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.64 15.92 47.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.927 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 4.5 mtt-85 -114.9 114.35 25.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 0.778 . . . . 0.0 110.336 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.32 116.23 31.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 110.261 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.46 ' O ' ' O ' ' A' ' 14' ' ' VAL . 3.4 p80 -138.99 138.42 37.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.607 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 30.5 p -118.72 131.4 56.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.62 ' O ' ' O ' ' A' ' 12' ' ' VAL . 54.0 t -120.47 135.84 59.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.75 139.38 37.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.63 HG13 ' HB ' ' A' ' 12' ' ' VAL . 16.2 m -136.71 168.45 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.128 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.931 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -102.67 154.19 37.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.931 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.4 Cg_endo -75.01 -12.17 21.48 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 p -113.86 -6.32 13.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.027 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.462 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.9 m -88.81 140.33 29.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.153 . . . . 0.0 110.374 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.749 HG12 ' CG ' ' A' ' 64' ' ' GLN . 3.3 m -77.36 141.95 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.871 HD13 HD12 ' A' ' 59' ' ' LEU . 23.5 mt -69.23 -21.44 63.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.521 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.9 pp -61.54 -41.84 97.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.69 -40.6 84.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.319 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -72.1 -45.65 61.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.472 HD23 ' SG ' ' A' ' 40' ' ' CYS . 6.5 tt -60.86 -46.76 89.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 7.7 mm-40 -63.75 -41.11 98.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.543 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.7 OUTLIER -63.33 -54.22 40.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.576 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 75.7 m -59.33 -34.72 72.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.382 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.551 ' O ' ' CA ' ' A' ' 44' ' ' ASP . 8.9 m -68.07 -36.42 79.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 108.275 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.796 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.55 -48.41 67.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.796 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -75.18 -37.39 61.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.549 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 1.2 pt20 -95.97 11.23 34.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.551 ' CA ' ' O ' ' A' ' 40' ' ' CYS . 4.1 p-10 34.22 68.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.756 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -127.15 159.42 34.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.434 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 2.9 m120 -122.29 142.5 37.07 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 50' ' ' TYR . 18.3 Cg_endo -74.96 -35.23 3.3 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.494 ' C ' ' O ' ' A' ' 81' ' ' VAL . 8.9 t -65.07 -8.55 16.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.002 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.661 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 5.1 mt-10 -123.86 -1.14 8.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.756 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 14.8 m-85 -143.42 139.48 29.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.629 ' N ' ' O ' ' A' ' 79' ' ' VAL . 8.9 m-20 -131.32 147.46 52.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.78 ' O ' ' N ' ' A' ' 59' ' ' LEU . 2.9 mp -121.61 134.1 55.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -147.67 141.56 25.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.466 ' HB3' ' CD2' ' A' ' 59' ' ' LEU . 2.1 t80 -131.09 113.7 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 59.14 -107.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -110.74 14.87 22.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.421 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 4.6 m -120.4 123.96 44.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.418 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.409 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 3.7 m -82.94 140.47 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.871 HD12 HD13 ' A' ' 32' ' ' LEU . 2.5 mm? -115.36 117.77 31.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.678 ' CB ' HD23 ' A' ' 63' ' ' LEU . 9.1 t0 -141.83 -145.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.0 mt -90.06 -38.23 13.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.801 ' C ' HD22 ' A' ' 63' ' ' LEU . 91.8 p -89.68 40.79 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.054 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.801 HD22 ' C ' ' A' ' 62' ' ' SER . 3.1 mm? -131.85 101.21 5.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.749 ' CG ' HG12 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -93.98 145.25 24.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.264 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.666 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.2 t90 -63.18 -39.88 95.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 108.014 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -58.78 -14.87 9.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -115.34 -66.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.563 ' C ' ' ND2' ' A' ' 69' ' ' ASN . . . -52.37 -20.7 2.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.64 ' C ' HD13 ' A' ' 70' ' ' LEU . 1.8 p30 42.32 92.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.64 HD13 ' C ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER -100.47 165.66 13.99 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.589 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -75.02 172.42 16.4 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.6 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -46.2 -78.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.745 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 1.4 m-20 -64.26 -2.75 2.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 11' ' ' ALA . . . 22.33 87.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 1.034 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -94.88 120.14 34.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.034 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -117.35 151.71 36.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 1.9 mt-10 -102.21 132.67 47.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.579 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -91.04 137.07 32.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 110.968 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.629 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.3 m -146.05 138.95 14.14 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.844 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -75.01 133.05 16.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.918 HG22 ' H ' ' A' ' 82' ' ' SER . 5.6 p 161.97 -162.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.918 ' H ' HG22 ' A' ' 81' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.573 ' OG ' ' CZ2' ' A' ' 65' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.763 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.18 142.31 27.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.889 ' CG1' HD21 ' A' ' 76' ' ' LEU . 4.7 t -119.46 145.37 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.565 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 40.3 t -134.17 134.38 42.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.032 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.456 ' CG1' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -119.89 117.71 54.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pp -103.08 109.7 21.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 1.064 ' HB1' ' OD1' ' A' ' 18' ' ' ASN . . . -83.78 131.52 51.66 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.43 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.97 -8.44 20.1 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.781 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 1.064 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 1.4 p-10 -79.98 6.78 10.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.87 16.02 55.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.891 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 2.4 mtt180 -112.84 114.22 26.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 110.354 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -110.46 116.02 30.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.431 ' O ' ' O ' ' A' ' 14' ' ' VAL . 32.9 p-80 -139.13 138.22 36.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.604 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.565 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 5.3 t -118.89 133.86 55.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.372 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.635 ' O ' ' O ' ' A' ' 12' ' ' VAL . 77.0 t -120.55 132.87 69.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.418 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -97.24 107.84 20.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.679 HG22 HG21 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -118.77 168.44 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.15 154.28 72.26 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.372 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.663 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -75.06 -12.21 21.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.2 p -106.78 1.36 24.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.976 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.563 HG23 ' HG2' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -88.8 140.1 29.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.386 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.611 HG12 ' CG ' ' A' ' 64' ' ' GLN . 6.8 m -77.5 130.43 36.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.586 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -57.04 -21.44 31.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.258 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.504 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.1 pp -63.44 -44.6 94.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.599 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.84 -38.63 83.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.599 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.35 -48.7 46.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.62 HD23 ' CD2' ' A' ' 61' ' ' LEU . 8.5 tp -60.86 -42.25 97.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 5.8 mm-40 -67.06 -38.73 86.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.565 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 6.5 m-20 -65.7 -54.42 27.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.56 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 12.6 t -64.13 -34.07 77.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.436 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.563 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 16.1 m -67.96 -36.55 80.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.323 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.566 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -66.37 -48.83 68.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.566 ' N ' ' CG ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -74.98 -37.3 61.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.563 ' HG2' ' HA ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -94.32 13.19 24.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 43' ' ' GLN . 2.8 p-10 31.81 69.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.779 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 0.9 OUTLIER -129.18 159.27 36.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.433 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 3.2 t30 -123.91 143.57 42.57 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.904 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.0 -34.91 3.46 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.548 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 13.2 t -64.9 -8.53 15.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.619 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 4.9 mm-40 -123.82 -2.36 8.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.779 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 12.7 m-85 -144.84 139.54 27.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.625 ' HB2' HG12 ' A' ' 81' ' ' VAL . 6.7 m-20 -131.31 147.36 52.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.815 ' O ' ' N ' ' A' ' 59' ' ' LEU . 1.5 mp -121.87 133.85 54.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 57' ' ' THR . 17.6 ttpt -149.13 142.42 25.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.594 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -128.4 113.81 16.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.435 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 15.9 mm-40 65.69 -110.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.8 mtm-85 -110.57 14.82 22.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 110.337 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.424 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 2.8 m -119.58 127.1 52.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.383 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.7 m -87.0 140.46 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.815 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -117.15 123.32 46.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.257 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.617 ' CB ' HD23 ' A' ' 63' ' ' LEU . 3.0 t0 -138.93 -147.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.904 HD11 ' HG3' ' A' ' 47' ' ' PRO . 78.9 mt -90.23 -39.42 12.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.464 ' O ' HD13 ' A' ' 63' ' ' LEU . 79.4 p -87.73 39.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.056 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.617 HD23 ' CB ' ' A' ' 60' ' ' ASP . 2.0 mm? -131.3 105.55 7.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.611 ' CG ' HG12 ' A' ' 31' ' ' VAL . 2.4 mp0 -91.65 141.38 28.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.251 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.78 ' HZ3' HG22 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -61.04 -41.1 95.94 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.557 ' HG3' ' CD1' ' A' ' 67' ' ' PHE . 15.6 ptm180 -64.72 -7.89 12.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.557 ' CD1' ' HG3' ' A' ' 66' ' ' ARG . 7.2 m-30 -114.37 -59.13 2.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.11 -9.06 54.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.1 p30 41.08 89.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.566 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 0.1 OUTLIER -85.99 159.83 53.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.563 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.1 Cg_endo -75.02 172.47 16.3 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.469 1.773 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.628 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -42.3 -85.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.763 ' C ' ' O ' ' A' ' 11' ' ' ALA . 1.4 t-20 -63.0 -1.83 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.565 ' HB3' ' HA ' ' A' ' 12' ' ' VAL . . . 29.24 76.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 1.024 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -92.85 117.05 29.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.024 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -113.89 153.92 28.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -101.51 128.72 47.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.559 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -85.41 136.02 33.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.619 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.6 m -145.31 141.21 16.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.874 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.97 133.07 16.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.951 HG22 ' H ' ' A' ' 82' ' ' SER . 5.8 p 160.3 -159.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.347 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.951 ' H ' HG22 ' A' ' 81' ' ' VAL . 22.7 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.586 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 2.5 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.722 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -146.38 147.87 31.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.028 HG22 HD21 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -118.57 131.72 70.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.855 ' O ' HD22 ' A' ' 76' ' ' LEU . 9.2 t -119.86 130.36 54.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.179 . . . . 0.0 109.992 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.592 HG13 ' HB2' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -119.61 117.32 53.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.894 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -105.86 124.15 49.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.796 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -86.83 136.37 34.48 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.99 -8.18 19.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.541 1.811 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 20' ' ' ARG . 47.3 p30 -79.64 2.24 23.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.67 15.61 39.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.796 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 33.6 mtt-85 -115.9 114.3 24.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -110.3 125.95 53.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.097 . . . . 0.0 110.277 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.559 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 11.7 p-80 -139.13 136.56 35.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 0.0 109.607 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.528 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 4.6 t -118.76 125.66 50.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.728 ' O ' ' O ' ' A' ' 12' ' ' VAL . 50.4 t -120.46 123.47 70.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.85 114.41 21.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.541 HG22 ' HB ' ' A' ' 12' ' ' VAL . 3.5 m -118.42 168.48 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.51 154.15 48.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.377 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.655 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.4 Cg_endo -74.96 -12.37 21.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.487 1.783 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.0 p -107.84 -5.94 16.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.429 HG23 ' HG2' ' A' ' 34' ' ' GLN . 2.3 m -88.8 140.04 29.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.358 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.955 HG13 ' HG3' ' A' ' 64' ' ' GLN . 6.5 t -77.41 135.5 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.986 HD12 ' O ' ' A' ' 63' ' ' LEU . 5.3 mt -60.55 -21.28 62.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.712 HD23 HG11 ' A' ' 31' ' ' VAL . 1.1 pp -62.47 -45.34 93.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.653 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -67.38 -37.77 83.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.648 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -72.37 -50.16 37.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 13.8 tp -61.29 -39.45 90.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 5.4 mm-40 -66.0 -43.55 87.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.569 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 1.2 m-20 -63.28 -54.3 39.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.655 HG22 ' CD ' ' A' ' 43' ' ' GLN . 97.8 m -61.3 -34.55 75.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 44' ' ' ASP . 15.4 m -68.28 -36.71 79.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 108.252 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.566 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.88 -48.93 64.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.578 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -74.91 -37.35 62.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.655 ' CD ' HG22 ' A' ' 39' ' ' THR . 1.6 pt20 -90.69 2.22 56.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 40' ' ' CYS . 2.3 p-10 43.4 66.69 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.795 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.3 m-85 -128.44 159.19 36.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.46 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -123.53 143.77 42.44 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.646 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.0 -35.53 3.08 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.455 1.766 . . . . 0.0 110.972 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.51 ' C ' ' O ' ' A' ' 81' ' ' VAL . 45.1 t -65.41 -8.38 18.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.621 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 7.4 mt-10 -123.69 -1.39 8.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.795 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 14.3 m-85 -144.93 139.42 27.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.747 ' C ' HD13 ' A' ' 52' ' ' LEU . 7.5 m-20 -131.34 147.51 52.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.763 ' O ' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -121.71 134.34 54.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 57' ' ' THR . 1.9 tmmm? -146.69 142.7 28.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.483 ' O ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -134.28 113.74 12.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.464 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 2.8 mm-40 60.18 -109.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -110.6 14.81 22.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.41 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 1.3 m -120.4 127.34 52.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.409 ' C ' HD22 ' A' ' 59' ' ' LEU . 4.0 m -84.66 140.44 16.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.896 HD11 HD21 ' A' ' 70' ' ' LEU . 4.3 mm? -114.9 118.32 33.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.691 ' CB ' HD23 ' A' ' 63' ' ' LEU . 7.7 t0 -145.05 -148.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.646 HD11 ' CG ' ' A' ' 47' ' ' PRO . 5.1 mt -90.27 -39.27 12.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.788 ' C ' HD22 ' A' ' 63' ' ' LEU . 87.8 p -86.66 38.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.019 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.986 ' O ' HD12 ' A' ' 32' ' ' LEU . 3.2 mm? -134.05 106.28 7.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.955 ' HG3' HG13 ' A' ' 31' ' ' VAL . 11.8 mp0 -93.98 144.36 25.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.655 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.4 t90 -63.43 -40.65 97.74 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -56.76 -15.09 4.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -114.49 -57.81 2.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.561 ' O ' ' ND2' ' A' ' 69' ' ' ASN . . . -60.14 -15.5 24.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.561 ' ND2' ' O ' ' A' ' 68' ' ' ALA . 0.6 OUTLIER 37.45 82.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.896 HD21 HD11 ' A' ' 59' ' ' LEU . 8.8 mt -86.59 161.43 48.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.617 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -75.01 172.53 16.19 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.672 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -37.59 -88.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.722 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -64.12 -1.78 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.669 ' HB3' HG23 ' A' ' 12' ' ' VAL . . . 26.58 86.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 1.039 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -88.4 127.62 35.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.039 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -121.99 153.88 37.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.571 ' HA ' HD13 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -102.85 130.71 49.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.678 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -87.88 134.56 33.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.633 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.5 m -146.13 136.15 11.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.872 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.97 133.01 16.12 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.945 HG22 ' H ' ' A' ' 82' ' ' SER . 6.3 p 160.02 -155.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.245 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.945 ' H ' HG22 ' A' ' 81' ' ' VAL . 72.8 p . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.476 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 57.8 m . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.73 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -142.67 149.43 38.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.724 ' CG2' HD11 ' A' ' 76' ' ' LEU . 0.6 OUTLIER -118.76 138.93 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.655 ' O ' ' N ' ' A' ' 76' ' ' LEU . 9.2 t -125.47 129.32 49.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.869 HG11 HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -119.75 117.22 53.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.851 HD22 ' C ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -107.55 120.97 43.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.765 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -84.57 135.42 40.83 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -75.01 -8.27 19.91 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.508 1.794 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.448 ' OD1' ' HB2' ' A' ' 20' ' ' ARG . 42.8 p30 -79.68 0.91 28.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.62 15.51 34.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.765 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 4.7 mmp_? -114.13 114.36 25.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.433 ' CG ' ' HB2' ' A' ' 15' ' ' LEU . 4.0 mtp180 -110.12 123.43 49.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.593 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 9.9 p-80 -139.18 136.28 34.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.58 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 4.0 t -118.71 125.56 49.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.675 ' O ' ' O ' ' A' ' 12' ' ' VAL . 60.3 t -120.31 123.39 70.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -83.7 107.69 16.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.532 HG22 ' HB ' ' A' ' 12' ' ' VAL . 3.8 m -106.7 167.06 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.923 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -92.07 153.93 43.3 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.923 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.4 Cg_endo -74.98 -12.46 21.57 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.445 1.761 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 p -112.97 -4.76 13.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.021 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.611 HG23 ' OE1' ' A' ' 34' ' ' GLN . 1.3 m -88.07 140.19 29.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.918 HG12 ' HG2' ' A' ' 64' ' ' GLN . 12.7 m -77.44 128.25 38.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.236 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.639 HD11 HD21 ' A' ' 70' ' ' LEU . 2.1 mt -57.08 -21.3 30.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.551 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.5 pp -62.1 -45.64 92.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.637 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.71 -37.95 82.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.637 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.8 OUTLIER -72.33 -50.17 37.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.655 HD23 HD23 ' A' ' 61' ' ' LEU . 16.6 tp -62.44 -37.7 86.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.551 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 6.8 mm-40 -65.89 -41.81 91.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.549 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 5.8 m-20 -64.5 -54.13 37.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.616 HG22 ' NE2' ' A' ' 43' ' ' GLN . 68.8 m -58.42 -35.56 72.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.419 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.515 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 18.9 m -68.24 -36.59 79.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 108.293 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.562 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 1.9 ptt180 -67.61 -48.64 66.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.574 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -74.93 -37.3 62.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.616 ' NE2' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -95.78 13.06 27.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.513 ' C ' ' O ' ' A' ' 43' ' ' GLN . 0.9 OUTLIER 31.77 69.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CG ' ' HG3' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -127.56 159.36 34.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.426 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 0.5 OUTLIER -122.91 141.72 36.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.895 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.02 -35.04 3.35 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.48 1.779 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 81' ' ' VAL . 1.7 p -64.77 -8.62 15.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.969 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.597 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 2.9 mt-10 -123.71 -2.55 8.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.355 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.574 ' CD1' ' CE ' ' A' ' 78' ' ' MET . 21.3 m-85 -144.73 139.43 27.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.653 ' N ' ' O ' ' A' ' 79' ' ' VAL . 2.8 m-20 -131.17 147.25 52.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.869 HD23 HG11 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -121.81 134.65 54.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 57' ' ' THR . 2.5 ttmm -148.8 137.33 21.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.91 ' HB2' HD23 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -115.86 113.71 23.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.451 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 5.7 mm-40 56.78 -103.06 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.72 14.9 22.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.542 ' O ' ' N ' ' A' ' 54' ' ' PHE . 5.9 m -117.35 133.76 55.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.379 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.621 ' C ' HD22 ' A' ' 59' ' ' LEU . 26.4 m -91.73 140.59 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.866 ' HG ' HD22 ' A' ' 76' ' ' LEU . 3.9 mm? -120.34 119.66 33.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.497 ' N ' HD12 ' A' ' 63' ' ' LEU . 3.4 t0 -141.83 -153.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.895 HD11 ' CG ' ' A' ' 47' ' ' PRO . 8.2 mt -90.24 -40.54 12.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.6 p -86.16 39.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 60' ' ' ASP . 23.7 mt -144.19 108.29 4.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.918 ' HG2' HG12 ' A' ' 31' ' ' VAL . 7.3 mp0 -90.94 154.4 19.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.653 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.0 OUTLIER -62.9 -42.86 99.93 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -18.29 9.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -105.39 -64.87 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.462 ' C ' ' ND2' ' A' ' 69' ' ' ASN . . . -56.69 -18.87 13.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.566 ' C ' HD13 ' A' ' 70' ' ' LEU . 5.2 p30 42.3 93.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.639 HD21 HD11 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -98.85 159.14 31.06 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.638 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -74.98 172.55 16.14 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.801 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.644 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -35.0 -90.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.73 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -64.79 -1.99 2.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.638 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 27.88 85.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -84.13 121.34 27.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.91 HD23 ' HB2' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -122.13 154.05 37.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.691 ' HA ' HD13 ' A' ' 15' ' ' LEU . 6.6 mt-10 -106.87 141.23 38.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.574 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -92.7 135.64 33.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 111.023 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.653 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.5 p -146.13 135.42 11.39 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.817 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.05 132.82 15.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.923 HG22 ' H ' ' A' ' 82' ' ' SER . 6.3 p 162.77 -156.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.923 ' H ' HG22 ' A' ' 81' ' ' VAL . 12.2 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.994 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.734 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.05 146.71 30.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.71 ' O ' ' O ' ' A' ' 24' ' ' VAL . 1.1 t -118.79 149.39 21.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.78 ' O ' HD22 ' A' ' 76' ' ' LEU . 31.4 t -137.49 134.08 35.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.039 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.73 117.45 53.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pp -101.59 109.59 21.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.884 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -81.71 131.47 57.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.96 -8.57 20.24 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.55 1.816 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.488 ' ND2' ' HB1' ' A' ' 16' ' ' ALA . 11.6 p30 -80.11 4.46 17.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.11 15.83 46.68 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.884 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -112.35 114.3 26.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -110.33 116.21 31.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 14' ' ' VAL . 19.4 p-80 -138.64 138.78 38.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.596 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.682 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 14.8 p -118.65 130.61 55.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.397 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.71 ' O ' ' O ' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -120.56 134.43 64.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -76.83 127.37 32.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.557 ' CG1' ' N ' ' A' ' 27' ' ' THR . 2.7 t -121.74 167.43 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.557 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -110.57 154.27 43.18 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.412 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.622 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.2 Cg_endo -74.98 -12.32 21.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.535 1.808 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.9 p -114.87 -3.49 12.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.3 m -88.81 139.18 30.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.746 HG12 ' CG ' ' A' ' 64' ' ' GLN . 12.5 m -77.66 127.46 38.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.114 HD11 HD21 ' A' ' 70' ' ' LEU . 7.2 mt -57.02 -21.36 30.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.518 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.3 pp -64.51 -44.64 90.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.654 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.81 -38.06 82.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.264 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.654 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.48 -49.81 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.77 HD22 ' CD2' ' A' ' 61' ' ' LEU . 6.1 tt -61.35 -42.75 99.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.8 mm-40 -65.64 -38.67 90.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.586 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -59.8 -54.23 48.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.641 HG22 ' O ' ' A' ' 36' ' ' LEU . 12.3 t -61.91 -34.41 76.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.559 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 8.5 m -67.94 -36.42 80.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 108.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.559 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -66.48 -48.8 68.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.586 ' CD ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -75.13 -37.37 61.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.563 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -95.13 11.25 32.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 40' ' ' CYS . 3.4 p-10 34.31 68.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.837 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -126.79 159.28 34.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 18.4 m120 -121.36 144.61 40.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.349 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.718 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -74.98 -36.52 2.51 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.516 ' C ' ' O ' ' A' ' 81' ' ' VAL . 10.2 t -63.21 -8.59 8.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.634 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 69.0 mt-10 -123.7 0.59 8.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.837 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 14.8 m-85 -146.97 139.45 24.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.614 ' HB2' HG12 ' A' ' 81' ' ' VAL . 7.0 m-20 -131.21 147.63 52.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.779 ' O ' ' N ' ' A' ' 59' ' ' LEU . 13.2 mt -121.58 133.9 55.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 4.0 ttpt -146.57 143.12 28.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.245 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.515 ' CE2' ' HD3' ' A' ' 71' ' ' PRO . 0.1 OUTLIER -129.38 113.84 15.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.426 ' CG ' ' N ' ' A' ' 56' ' ' ARG . 7.8 tt0 59.1 -106.89 0.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.426 ' N ' ' CG ' ' A' ' 55' ' ' GLN . 7.7 mmp_? -110.58 14.8 22.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.403 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 18.8 m -119.08 130.68 55.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.361 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.444 ' O ' HD13 ' A' ' 63' ' ' LEU . 33.3 m -88.96 140.48 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.779 ' N ' ' O ' ' A' ' 52' ' ' LEU . 4.0 mm? -116.87 119.68 36.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -141.38 -154.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.77 ' CD2' HD22 ' A' ' 36' ' ' LEU . 3.4 mt -90.18 -41.62 11.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.132 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.489 ' O ' HD23 ' A' ' 63' ' ' LEU . 80.8 p -84.2 39.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.608 ' O ' HD12 ' A' ' 32' ' ' LEU . 37.6 mt -144.72 108.9 4.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.746 ' CG ' HG12 ' A' ' 31' ' ' VAL . 20.0 mp0 -93.98 156.46 16.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.691 ' HA ' HD22 ' A' ' 70' ' ' LEU . 1.1 t90 -63.26 -43.76 97.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 107.989 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -15.22 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -112.19 -62.44 1.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.45 ' C ' ' ND2' ' A' ' 69' ' ' ASN . . . -60.9 -15.96 36.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.511 ' C ' HD13 ' A' ' 70' ' ' LEU . 4.5 p30 41.7 92.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.247 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.114 HD21 HD11 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -96.86 159.57 31.23 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.6 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 18.5 Cg_endo -74.97 172.38 16.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.782 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.681 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -40.37 -86.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.734 ' C ' ' O ' ' A' ' 11' ' ' ALA . 2.0 t30 -62.79 -1.86 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 71' ' ' PRO . . . 25.24 84.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.87 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -92.51 118.21 30.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.87 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -112.33 153.28 27.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 3.7 pt-20 -101.33 129.71 47.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.406 ' O ' ' HG3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -85.34 132.73 34.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.612 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.4 m -146.13 137.7 13.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.87 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.95 132.95 16.08 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.518 1.799 . . . . 0.0 111.034 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.93 HG22 ' H ' ' A' ' 82' ' ' SER . 6.2 p 159.9 -153.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.93 ' H ' HG22 ' A' ' 81' ' ' VAL . 23.8 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.719 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -146.54 140.13 25.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.006 HG12 HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -119.3 143.94 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.969 ' O ' HD22 ' A' ' 76' ' ' LEU . 29.5 t -129.85 136.99 50.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.487 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.77 117.54 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.743 HD21 ' CD ' ' A' ' 77' ' ' GLU . 1.3 pp -102.98 109.77 21.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.931 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -83.43 130.99 54.18 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.417 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.6 Cg_endo -74.94 -8.21 19.92 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.454 1.765 . . . . 0.0 111.06 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.526 ' ND2' ' HB1' ' A' ' 16' ' ' ALA . 10.2 p30 -79.8 4.47 16.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.79 15.85 47.68 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.931 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 1.8 mmt180 -114.34 114.49 25.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.275 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -110.11 115.82 30.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.487 ' O ' ' O ' ' A' ' 14' ' ' VAL . 13.7 p-80 -139.36 138.64 36.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.575 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.615 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 5.6 t -118.7 134.09 55.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.622 ' O ' ' O ' ' A' ' 12' ' ' VAL . 53.8 t -120.44 131.47 72.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.31 119.18 32.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.687 HG22 ' CG2' ' A' ' 12' ' ' VAL . 1.0 OUTLIER -128.71 168.42 21.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.719 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -82.94 154.11 67.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.719 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.3 Cg_endo -74.96 -12.29 21.6 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.8 p -106.43 -1.43 23.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.451 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.5 m -88.38 140.24 29.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.547 HG12 ' CG ' ' A' ' 64' ' ' GLN . 5.0 m -77.29 128.94 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.987 HD12 ' O ' ' A' ' 63' ' ' LEU . 4.8 mt -56.88 -21.44 29.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.525 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.7 pp -62.23 -44.45 96.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.64 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.75 -38.33 83.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 110.319 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.64 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.32 -48.41 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.657 HD23 ' SG ' ' A' ' 40' ' ' CYS . 6.2 tt -59.81 -46.57 88.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.1 mm-40 -63.85 -38.77 92.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.564 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 4.7 m-20 -63.1 -54.21 41.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.577 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 1.7 p -62.73 -34.37 77.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 110.428 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.657 ' SG ' HD23 ' A' ' 36' ' ' LEU . 14.0 m -67.7 -36.44 80.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 108.273 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.564 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.56 -48.9 65.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.577 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -75.05 -37.38 61.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.554 ' CG ' ' HB2' ' A' ' 45' ' ' PHE . 3.4 pt20 -93.88 7.92 43.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 40' ' ' CYS . 6.4 p-10 37.16 67.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.718 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 m-85 -127.64 159.31 35.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 3.3 m-80 -121.65 143.57 38.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.554 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.0 -34.63 3.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.503 ' C ' ' O ' ' A' ' 81' ' ' VAL . 42.1 t -65.98 -8.44 22.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.622 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.6 mm-40 -123.66 0.51 8.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.718 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 17.2 m-85 -147.46 139.36 24.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.656 ' N ' ' O ' ' A' ' 79' ' ' VAL . 5.2 m-20 -131.33 147.23 52.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.785 ' O ' ' N ' ' A' ' 59' ' ' LEU . 2.3 mp -121.82 136.59 54.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -148.68 137.05 21.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.549 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -124.08 113.8 18.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 110.985 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.453 ' CG ' ' N ' ' A' ' 56' ' ' ARG . 0.6 OUTLIER 58.84 -107.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.453 ' N ' ' CG ' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -110.61 14.82 22.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.521 ' HB ' ' CD2' ' A' ' 54' ' ' PHE . 12.0 m -120.28 125.88 49.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.356 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.563 ' C ' HD22 ' A' ' 59' ' ' LEU . 2.6 m -82.49 140.49 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 1.039 HD11 HD21 ' A' ' 70' ' ' LEU . 1.3 mm? -114.45 117.62 31.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.517 ' CB ' HD23 ' A' ' 63' ' ' LEU . 7.4 t0 -144.12 -149.41 0.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.554 HD11 ' CG ' ' A' ' 47' ' ' PRO . 3.2 mt -90.32 -38.76 13.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.507 ' O ' HD13 ' A' ' 63' ' ' LEU . 61.8 p -88.58 39.43 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.014 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.987 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.6 mm? -134.35 106.84 7.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.547 ' CG ' HG12 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -94.14 141.71 28.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.642 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.0 OUTLIER -63.33 -39.85 95.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 108.003 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.579 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 6.2 ptp180 -56.79 -21.9 32.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.579 ' CD2' ' HG3' ' A' ' 66' ' ' ARG . 23.1 m-85 -108.67 -54.65 2.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.16 -17.25 51.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 67' ' ' PHE . 5.3 p30 41.14 86.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.039 HD21 HD11 ' A' ' 59' ' ' LEU . 2.8 mp -88.29 161.98 41.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.593 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -75.03 172.34 16.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.45 1.763 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.613 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -42.57 -82.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.719 ' C ' ' O ' ' A' ' 11' ' ' ALA . 17.6 m-20 -65.57 -1.76 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.643 ' O ' ' HA ' ' A' ' 12' ' ' VAL . . . 25.76 86.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.877 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -93.43 118.87 31.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.006 HD21 HG12 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -112.08 152.0 28.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.743 ' CD ' HD21 ' A' ' 15' ' ' LEU . 3.1 mm-40 -104.41 126.63 51.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.64 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -85.35 135.01 34.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.656 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.7 p -146.02 138.55 13.82 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.879 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.5 Cg_endo -74.92 133.0 16.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.542 1.812 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.932 HG22 ' H ' ' A' ' 82' ' ' SER . 5.9 p 159.78 -154.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.932 ' H ' HG22 ' A' ' 81' ' ' VAL . 25.0 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.028 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.562 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 71.5 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.739 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -145.76 145.69 30.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.807 HG22 HD21 ' A' ' 76' ' ' LEU . 1.2 t -120.43 142.95 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.724 ' O ' HD22 ' A' ' 76' ' ' LEU . 22.6 t -130.49 134.21 46.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.974 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.479 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.3 OUTLIER -119.7 117.4 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -102.59 109.53 21.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.918 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -83.35 132.09 51.02 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -7.56 19.28 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.622 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 4.8 p30 -79.17 6.13 10.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.15 15.85 55.01 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.918 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -116.22 114.31 24.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 0.739 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.1 116.41 31.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.479 ' O ' ' O ' ' A' ' 14' ' ' VAL . 1.6 p80 -138.79 138.32 37.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.558 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.606 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 2.8 t -118.68 134.37 55.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.561 ' O ' ' O ' ' A' ' 12' ' ' VAL . 60.7 t -120.57 132.31 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.14 118.64 24.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 m -123.17 168.41 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.347 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.59 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -91.77 154.14 43.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.363 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.692 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -75.0 -12.43 21.51 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.436 1.756 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 p -108.6 -3.68 17.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.972 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.685 HG23 ' HG2' ' A' ' 34' ' ' GLN . 2.0 m -88.73 139.74 30.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.761 HG13 ' CG ' ' A' ' 64' ' ' GLN . 10.6 t -77.9 132.06 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.558 ' O ' HG22 ' A' ' 35' ' ' VAL . 2.9 mm? -56.94 -21.25 28.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.747 HD23 HG11 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -63.1 -46.38 87.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.685 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.0 OUTLIER -66.18 -39.33 89.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.138 . . . . 0.0 110.29 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -72.07 -50.18 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.561 HD23 ' CD2' ' A' ' 61' ' ' LEU . 13.5 tp -61.35 -38.76 88.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 5.4 mm-40 -65.55 -42.53 91.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.542 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 6.2 m-20 -61.31 -54.16 47.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.78 HG22 ' CD ' ' A' ' 43' ' ' GLN . 47.2 m -62.45 -35.42 79.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 44' ' ' ASP . 16.5 m -68.28 -36.49 79.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 108.336 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.784 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.95 -48.68 65.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.784 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -75.09 -37.17 61.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.322 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.78 ' CD ' HG22 ' A' ' 39' ' ' THR . 1.6 pt20 -91.49 3.49 54.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 40' ' ' CYS . 0.7 OUTLIER 42.21 67.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.802 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.2 m-85 -128.25 159.4 35.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.932 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.418 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 3.5 m120 -122.25 145.05 43.22 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.891 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.04 -34.92 3.42 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.788 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.498 ' C ' ' O ' ' A' ' 81' ' ' VAL . 7.9 t -65.89 -8.46 22.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.028 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.625 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 21.9 mt-10 -123.58 -0.21 8.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.802 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 23.8 m-85 -146.03 139.36 26.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.668 ' N ' ' O ' ' A' ' 79' ' ' VAL . 5.0 m-20 -131.39 147.58 52.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.798 ' O ' ' N ' ' A' ' 59' ' ' LEU . 8.9 mt -121.59 134.56 55.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 57' ' ' THR . 29.2 ttpt -148.83 143.26 26.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.58 ' CZ ' ' HG3' ' A' ' 71' ' ' PRO . 1.0 OUTLIER -128.47 113.85 16.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 111.009 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.55 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 5.4 mm-40 58.42 -105.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 69.0 mtt85 -110.57 14.61 22.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 54' ' ' PHE . 6.0 m -118.45 132.24 56.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.392 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.427 ' O ' HD13 ' A' ' 63' ' ' LEU . 35.8 m -89.91 140.56 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.798 ' N ' ' O ' ' A' ' 52' ' ' LEU . 3.3 mm? -117.36 119.45 35.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -142.2 -155.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.891 HD11 ' HG3' ' A' ' 47' ' ' PRO . 56.8 mt -90.2 -39.61 12.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.455 ' O ' HD23 ' A' ' 63' ' ' LEU . 96.4 p -84.6 38.6 0.7 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 109.941 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 62' ' ' SER . 32.5 mt -144.77 110.55 5.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.761 ' CG ' HG13 ' A' ' 31' ' ' VAL . 2.2 mt-30 -92.87 153.73 18.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.692 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 0.7 OUTLIER -63.45 -40.06 96.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 108.004 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.461 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 10.2 ptm180 -56.09 -27.98 55.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.256 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.461 ' CD2' ' HG3' ' A' ' 66' ' ' ARG . 26.0 m-85 -102.1 -60.62 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.943 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -56.43 -17.4 7.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 68' ' ' ALA . 5.6 p30 42.84 94.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.501 HD11 HD11 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -101.19 160.27 27.12 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.641 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -75.02 172.46 16.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.535 1.808 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.599 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -42.1 -82.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.739 ' C ' ' O ' ' A' ' 11' ' ' ALA . 76.2 m-20 -65.26 -1.71 2.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.641 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 27.56 86.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.945 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -92.05 119.07 31.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.945 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -116.29 150.06 38.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 2.4 pt-20 -101.35 132.79 46.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.279 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.85 132.9 34.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.668 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -145.99 134.9 11.12 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.845 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.03 133.03 16.06 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.464 1.771 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.932 HG22 ' H ' ' A' ' 82' ' ' SER . 6.2 p 161.76 -155.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.932 ' H ' HG22 ' A' ' 81' ' ' VAL . 3.9 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.694 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.31 140.06 24.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.974 ' CG1' HD21 ' A' ' 76' ' ' LEU . 16.6 t -119.0 142.76 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.698 ' O ' HD22 ' A' ' 76' ' ' LEU . 7.3 t -137.4 127.18 25.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.565 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.48 117.24 53.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.924 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -108.43 120.44 42.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.711 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -87.37 135.72 34.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.112 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.508 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.05 -8.51 20.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.799 . . . . 0.0 110.955 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.557 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 30.1 p-10 -80.0 0.0 33.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.05 15.99 31.69 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.711 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 11.9 mmt180 -112.22 114.2 26.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 0.721 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.665 ' NH2' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -110.55 123.19 49.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.565 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 9.6 p-80 -139.16 136.79 35.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.624 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.493 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 5.4 t -118.87 126.74 52.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.432 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.768 ' O ' ' O ' ' A' ' 12' ' ' VAL . 82.2 t -120.58 138.01 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -103.3 115.52 30.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.356 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.628 HG22 HG21 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -129.15 168.42 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.653 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -84.16 154.58 63.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.376 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.653 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.6 Cg_endo -74.94 -12.43 21.64 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.547 1.814 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 p -104.15 -2.0 26.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.408 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.9 m -88.72 140.41 29.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.428 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.619 HG12 ' CG ' ' A' ' 64' ' ' GLN . 10.7 m -77.08 128.84 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.959 HD13 HD12 ' A' ' 59' ' ' LEU . 14.8 mt -56.79 -21.34 27.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.524 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.8 pp -63.42 -45.54 90.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.587 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.85 -38.2 82.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.587 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.8 OUTLIER -72.15 -50.03 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.55 HD23 HD23 ' A' ' 61' ' ' LEU . 12.8 tp -60.79 -37.6 82.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.8 mm-40 -66.03 -43.23 88.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.523 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 9.7 m-20 -63.17 -54.14 42.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.55 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 25.5 p -59.24 -37.91 78.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.518 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 17.4 m -68.24 -36.61 79.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 108.313 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.555 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -66.41 -48.79 68.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.555 ' N ' ' CG ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -73.4 -37.12 66.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 110.304 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.541 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 1.7 pt20 -95.46 13.21 26.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.5 ' C ' ' O ' ' A' ' 43' ' ' GLN . 4.0 p-10 33.15 70.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.696 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -128.29 159.24 35.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.055 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.416 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 3.5 t30 -123.46 143.01 40.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.805 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.05 -35.87 2.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.563 1.822 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.599 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 8.0 t -62.24 -8.69 6.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.57 ' C ' ' O ' ' A' ' 81' ' ' VAL . 2.8 mm-40 -123.82 -6.42 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.696 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 15.9 m-85 -140.03 139.26 35.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.674 ' N ' ' O ' ' A' ' 79' ' ' VAL . 0.8 OUTLIER -131.54 147.51 52.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.362 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.803 ' O ' ' N ' ' A' ' 59' ' ' LEU . 8.8 mt -121.57 133.8 55.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -147.19 139.4 24.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.629 ' CE1' ' NE2' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -126.03 113.68 17.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.629 ' NE2' ' CE1' ' A' ' 54' ' ' PHE . 32.9 mt-30 57.96 -106.4 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.76 14.89 22.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.455 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 1.4 m -120.6 122.29 40.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.365 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.412 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 3.8 m -82.2 140.43 16.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.959 HD12 HD13 ' A' ' 32' ' ' LEU . 3.3 mm? -115.98 119.79 37.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.544 ' CB ' HD23 ' A' ' 63' ' ' LEU . 4.9 t70 -145.28 -152.71 0.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.805 HD11 ' HG3' ' A' ' 47' ' ' PRO . 96.1 mt -90.19 -19.23 24.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.853 ' C ' HD22 ' A' ' 63' ' ' LEU . 83.4 p -105.31 39.93 1.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 110.056 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.853 HD22 ' C ' ' A' ' 62' ' ' SER . 3.3 mm? -138.19 106.09 5.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.619 ' CG ' HG12 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -94.22 141.81 28.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.277 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.747 ' HZ3' HG22 ' A' ' 12' ' ' VAL . 1.2 t90 -63.4 -41.26 98.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 107.984 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -58.13 -14.97 7.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.255 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.436 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 19.8 m-85 -116.88 -60.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -59.14 -14.52 10.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 67' ' ' PHE . 4.7 p30 42.33 92.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.577 HD21 HD11 ' A' ' 32' ' ' LEU . 1.7 mp -91.87 164.48 23.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.576 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -75.03 172.13 16.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.599 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -47.27 -78.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.694 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -65.16 -1.89 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.726 ' HB2' ' CH2' ' A' ' 65' ' ' TRP . . . 31.86 83.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 1.049 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -96.03 123.71 39.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.049 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -121.5 153.86 37.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.596 ' HA ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -103.09 132.81 49.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.508 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -86.87 132.01 33.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.674 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.2 p -146.12 134.55 10.85 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.084 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.993 ' O ' HG13 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.04 132.98 15.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.776 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.993 HG13 ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER 163.02 -161.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.599 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 15.2 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.557 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 55.2 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.739 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.09 143.1 28.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.8 ' O ' ' O ' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -118.76 131.51 71.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.718 ' O ' HD22 ' A' ' 76' ' ' LEU . 10.0 t -121.74 129.42 52.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.612 HG11 HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -119.5 117.21 53.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.883 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -106.84 124.14 49.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -89.31 136.66 29.79 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.05 -8.25 19.85 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.508 ' OD1' ' CB ' ' A' ' 16' ' ' ALA . 25.4 p30 -79.79 0.65 29.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.91 16.04 34.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.11 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.654 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -112.03 114.28 27.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 110.308 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.4 121.25 44.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.577 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 12.5 p-80 -139.21 135.97 34.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.629 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 3.3 t -118.76 124.91 48.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.8 ' O ' ' O ' ' A' ' 12' ' ' VAL . 58.5 t -120.44 127.34 75.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -77.37 132.41 38.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.552 HG22 ' HB ' ' A' ' 12' ' ' VAL . 5.0 m -132.38 168.5 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.523 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -103.13 154.53 37.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 110.373 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.687 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.5 Cg_endo -74.99 -12.25 21.53 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.481 1.78 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.4 p -112.03 -5.84 14.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.028 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 m -88.76 140.37 29.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 110.365 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.961 HG12 ' HG2' ' A' ' 64' ' ' GLN . 17.4 m -77.2 129.32 37.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.92 HD11 HD21 ' A' ' 70' ' ' LEU . 8.6 mt -59.99 -21.39 61.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.538 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.9 pp -62.41 -44.09 97.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.628 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.74 -38.33 83.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.628 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.39 -48.72 46.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.493 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 9.9 tp -62.08 -40.87 97.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.6 mm-40 -64.8 -42.04 95.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.539 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 19.3 m-20 -63.81 -54.24 38.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.584 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 89.6 m -58.48 -34.48 70.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.418 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.558 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 14.5 m -68.11 -36.52 79.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 108.278 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.558 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.78 -48.79 65.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.584 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -74.83 -37.44 62.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.313 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.575 ' CG ' ' HB2' ' A' ' 45' ' ' PHE . 2.5 pt20 -93.88 8.02 42.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 110.34 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 40' ' ' CYS . 3.4 p-10 37.08 67.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.575 ' HB2' ' CG ' ' A' ' 43' ' ' GLN . 1.1 m-85 -126.88 159.3 34.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 111.03 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.434 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 7.0 m-20 -122.99 141.77 36.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.728 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.1 Cg_endo -75.09 -35.83 2.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.493 1.786 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.574 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 5.6 t -64.24 -8.54 12.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.596 ' C ' ' H ' ' A' ' 81' ' ' VAL . 2.0 mm-40 -123.98 -3.54 8.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.653 ' CD1' ' CE ' ' A' ' 78' ' ' MET . 22.5 m-85 -142.07 139.55 32.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.624 ' N ' ' O ' ' A' ' 79' ' ' VAL . 18.5 m-20 -131.36 147.58 52.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.8 ' O ' ' N ' ' A' ' 59' ' ' LEU . 9.3 mt -121.55 133.83 55.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 57' ' ' THR . 21.5 ttpt -149.0 143.13 25.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 57' ' ' THR . 0.4 OUTLIER -127.63 113.84 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.99 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.493 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 19.5 tt0 58.45 -105.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.493 ' N ' ' HG2' ' A' ' 55' ' ' GLN . 62.0 mtt85 -110.6 14.8 22.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 54' ' ' PHE . 5.3 m -118.54 130.54 55.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.382 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.466 ' O ' HD13 ' A' ' 63' ' ' LEU . 29.8 m -90.13 140.59 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.8 ' N ' ' O ' ' A' ' 52' ' ' LEU . 3.3 mm? -118.28 119.15 33.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.4 ' N ' HD12 ' A' ' 63' ' ' LEU . 3.4 t70 -142.71 -153.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.728 HD11 ' CG ' ' A' ' 47' ' ' PRO . 4.1 mt -90.19 -41.43 11.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.455 ' O ' HD23 ' A' ' 63' ' ' LEU . 75.1 p -83.73 38.32 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.022 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.466 HD13 ' O ' ' A' ' 58' ' ' VAL . 22.8 mt -145.84 107.31 4.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.961 ' HG2' HG12 ' A' ' 31' ' ' VAL . 24.8 mp0 -92.94 157.63 16.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.687 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.1 t90 -63.51 -40.47 97.14 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.425 ' HD2' ' CE2' ' A' ' 67' ' ' PHE . 4.1 ptp85 -56.14 -16.17 4.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.313 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.425 ' CE2' ' HD2' ' A' ' 66' ' ' ARG . 28.2 m-85 -115.06 -60.51 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.445 ' C ' ' ND2' ' A' ' 69' ' ' ASN . . . -57.03 -18.36 13.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.544 ' C ' HD13 ' A' ' 70' ' ' LEU . 5.3 p30 41.73 92.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.92 HD21 HD11 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -100.3 157.97 32.83 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.648 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -75.03 172.52 16.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.471 1.774 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.668 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -35.42 -90.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.739 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -64.13 -1.91 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.648 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 28.61 89.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.988 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -90.17 120.1 31.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.988 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -115.69 153.12 31.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 0.0 109.265 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.608 ' HA ' HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -102.07 130.27 48.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.653 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -88.02 132.3 34.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.624 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.8 p -146.19 136.95 12.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 1.018 ' O ' HG13 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -74.95 133.0 16.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.471 1.774 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 1.018 HG13 ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER 162.81 -163.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.574 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 65.7 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.77 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.27 141.62 26.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.034 HG12 HD21 ' A' ' 76' ' ' LEU . 2.5 t -119.0 140.51 42.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.758 ' O ' HD22 ' A' ' 76' ' ' LEU . 8.1 t -133.81 128.44 34.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.971 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.478 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -119.78 117.45 53.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.345 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.84 HD22 ' C ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -107.01 119.99 40.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -86.35 136.11 35.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.152 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.483 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.0 -8.57 20.19 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.507 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 29.3 p30 -80.1 1.05 29.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.65 16.13 34.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.631 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -110.3 114.2 27.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.46 119.2 38.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.478 ' O ' ' O ' ' A' ' 14' ' ' VAL . 11.5 p-80 -139.27 138.28 36.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.571 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 5.6 t -118.83 127.64 53.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.384 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.733 ' O ' ' O ' ' A' ' 12' ' ' VAL . 89.0 t -120.41 132.38 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -97.72 114.39 26.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.922 HG22 HG21 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -124.14 168.35 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.497 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -84.33 154.44 62.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.43 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.654 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -74.94 -12.31 21.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.781 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 p -105.32 -4.42 21.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.562 HG23 ' HG2' ' A' ' 34' ' ' GLN . 4.6 m -88.77 140.43 29.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.919 HG13 ' HG3' ' A' ' 64' ' ' GLN . 11.7 t -77.21 137.26 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.89 HD11 HD21 ' A' ' 70' ' ' LEU . 1.6 mt -62.98 -21.43 66.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.906 HD23 HG11 ' A' ' 31' ' ' VAL . 1.4 pp -62.52 -43.37 98.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.562 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.0 OUTLIER -67.84 -39.54 83.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -72.21 -49.84 40.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.549 HD23 ' CD2' ' A' ' 61' ' ' LEU . 28.3 tp -59.0 -41.27 87.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 7.3 mm-40 -65.85 -44.28 85.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.57 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -61.75 -54.24 45.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 35' ' ' VAL . 74.4 p -62.6 -35.06 78.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.385 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 44' ' ' ASP . 16.5 m -68.15 -36.62 79.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 108.321 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.564 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -65.49 -48.72 71.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.57 ' CD ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -74.9 -37.04 62.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.538 ' CG ' ' HB2' ' A' ' 45' ' ' PHE . 1.1 pt20 -91.66 6.31 46.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 40' ' ' CYS . 0.7 OUTLIER 38.95 68.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.784 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 m-85 -129.92 159.22 37.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.435 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 2.8 m-20 -121.86 143.02 37.5 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.771 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.5 Cg_endo -75.0 -35.63 3.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.567 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 10.8 t -64.45 -8.6 14.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.602 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 45.3 mm-40 -123.89 -2.49 8.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.784 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 19.4 m-85 -142.52 139.63 31.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.655 ' O ' HD13 ' A' ' 52' ' ' LEU . 1.0 OUTLIER -131.32 147.74 52.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.782 ' O ' ' N ' ' A' ' 59' ' ' LEU . 0.4 OUTLIER -121.5 133.92 55.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 57' ' ' THR . 0.7 OUTLIER -147.68 142.97 27.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.528 ' CD2' ' HB ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -129.76 113.64 14.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 55.45 -104.7 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.284 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.8 14.96 22.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.272 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.528 ' HB ' ' CD2' ' A' ' 54' ' ' PHE . 4.5 m -120.19 122.01 40.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.414 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.473 ' O ' HD13 ' A' ' 63' ' ' LEU . 34.6 m -84.37 140.65 15.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.807 HD12 HD13 ' A' ' 32' ' ' LEU . 2.2 mm? -116.13 118.6 33.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.439 ' N ' HD12 ' A' ' 63' ' ' LEU . 11.2 t0 -140.44 -154.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.771 HD11 ' CG ' ' A' ' 47' ' ' PRO . 16.8 mt -90.43 -42.77 10.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.4 p -85.09 40.68 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.029 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.588 ' O ' HD12 ' A' ' 32' ' ' LEU . 40.4 mt -143.52 105.23 4.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.919 ' HG3' HG13 ' A' ' 31' ' ' VAL . 5.4 mp0 -88.11 150.91 23.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.846 ' HZ3' HG22 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -63.44 -40.34 96.9 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.15 -17.21 6.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -110.12 -62.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -56.94 -17.5 9.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 69' ' ' ASN . 8.4 p-10 42.21 93.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.89 HD21 HD11 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -92.36 159.1 37.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.617 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.5 Cg_endo -74.95 172.46 16.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.521 1.8 . . . . 0.0 111.029 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.634 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -35.93 -91.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.77 ' C ' ' O ' ' A' ' 11' ' ' ALA . 16.1 m-20 -62.74 -1.93 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.664 ' HB2' ' CH2' ' A' ' 65' ' ' TRP . . . 30.72 86.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 1.009 ' C ' HD13 ' A' ' 76' ' ' LEU . 4.2 pttt -95.44 121.18 36.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.034 HD21 HG12 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -117.86 154.1 32.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.653 ' HA ' HD13 ' A' ' 15' ' ' LEU . 2.6 pt-20 -101.73 135.19 43.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.68 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -89.62 133.71 34.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.652 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.4 p -146.09 136.22 11.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.979 ' O ' HG13 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.97 133.02 16.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.979 HG13 ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER 164.28 -163.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.567 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 61.5 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.564 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 74.3 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.735 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -142.37 152.67 43.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.817 HG22 HD21 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -118.65 140.43 42.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.663 ' O ' ' N ' ' A' ' 76' ' ' LEU . 12.1 t -130.54 129.16 42.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.034 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.573 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -119.47 117.32 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.902 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -106.25 119.27 38.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -85.2 134.5 40.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.4 Cg_endo -74.97 -8.4 20.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.501 ' ND2' ' HB1' ' A' ' 16' ' ' ALA . 12.7 p30 -80.08 1.81 26.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.3 15.81 36.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.775 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 12.8 mmt-85 -112.84 114.3 26.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.407 ' HG2' ' HB2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -110.34 121.93 46.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.573 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 12.1 p-80 -139.24 136.79 35.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.612 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 4.9 t -118.81 125.58 49.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.385 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.719 ' O ' ' O ' ' A' ' 12' ' ' VAL . 87.1 t -120.56 127.43 75.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 17.6 pttp -81.95 113.26 19.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.597 HG13 ' HB ' ' A' ' 12' ' ' VAL . 2.5 m -114.19 168.39 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.931 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -99.59 154.06 37.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.421 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.931 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.4 Cg_endo -74.96 -12.35 21.59 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 p -111.5 -2.53 15.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.021 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.581 HG23 ' HG2' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -88.8 140.22 29.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.422 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.931 HG12 ' HG2' ' A' ' 64' ' ' GLN . 4.2 m -77.11 128.6 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.558 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -56.86 -21.43 29.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.2 pp -63.2 -43.46 98.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.368 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.581 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.0 OUTLIER -67.79 -39.89 83.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -72.06 -49.9 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.593 HD23 ' SG ' ' A' ' 40' ' ' CYS . 4.9 tt -58.79 -44.88 90.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.3 mm-40 -67.2 -42.16 84.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.278 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.602 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -61.5 -54.46 42.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.546 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 2.8 t -60.82 -34.39 74.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 110.407 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.613 ' O ' ' N ' ' A' ' 44' ' ' ASP . 8.8 m -68.3 -36.56 79.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 108.309 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.567 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -64.71 -48.74 73.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.602 ' CD ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -72.74 -36.26 67.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.559 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 1.4 pt20 -98.55 13.36 32.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.613 ' N ' ' O ' ' A' ' 40' ' ' CYS . 7.6 p-10 32.66 69.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.689 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 0.9 OUTLIER -127.59 159.47 34.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.2 m-20 -121.19 143.42 37.2 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.489 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -75.0 -35.7 2.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.455 1.766 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.497 ' C ' ' O ' ' A' ' 81' ' ' VAL . 10.2 t -64.47 -8.53 13.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.628 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 16.9 mt-10 -123.48 -2.52 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.689 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 22.9 m-85 -143.62 139.26 29.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.665 ' HB2' HG12 ' A' ' 81' ' ' VAL . 3.9 m-20 -131.4 147.65 52.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.807 ' O ' ' N ' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -121.43 133.84 55.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 57' ' ' THR . 0.5 OUTLIER -149.02 143.15 25.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 57' ' ' THR . 0.9 OUTLIER -124.47 113.64 18.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.429 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 10.6 tt0 56.97 -103.44 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.429 ' N ' ' HG2' ' A' ' 55' ' ' GLN . 9.6 mtt180 -110.64 14.53 22.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.529 ' O ' ' N ' ' A' ' 54' ' ' PHE . 16.7 m -117.16 135.84 53.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.445 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.551 ' C ' HD22 ' A' ' 59' ' ' LEU . 35.4 m -94.5 140.71 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.807 ' N ' ' O ' ' A' ' 52' ' ' LEU . 4.3 mm? -119.59 118.0 29.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.468 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.3 t0 -140.68 -152.6 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.489 HD11 ' CG ' ' A' ' 47' ' ' PRO . 1.2 mt -90.16 -42.53 11.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.441 ' O ' HD23 ' A' ' 63' ' ' LEU . 52.8 p -84.91 40.28 0.8 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.997 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.471 ' CD1' HG23 ' A' ' 58' ' ' VAL . 33.7 mt -144.35 98.79 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.931 ' HG2' HG12 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -85.78 155.69 20.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.704 ' HA ' HD22 ' A' ' 70' ' ' LEU . 1.3 t90 -63.41 -42.64 98.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 107.989 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -56.11 -15.99 4.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -111.62 -62.11 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -60.99 -14.8 25.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 69' ' ' ASN . 8.0 p-10 41.65 92.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.704 HD22 ' HA ' ' A' ' 65' ' ' TRP . 0.3 OUTLIER -95.08 157.4 36.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.674 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.99 172.49 16.27 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.648 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -38.99 -85.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.735 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.9 OUTLIER -64.32 -1.89 1.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.674 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 28.36 82.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 1.002 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -88.66 123.41 33.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.002 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -118.13 154.12 32.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.652 ' HA ' HD13 ' A' ' 15' ' ' LEU . 2.3 mt-10 -102.77 133.01 48.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.429 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -86.19 130.58 34.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 110.994 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.664 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -146.17 132.06 9.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.817 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.03 132.96 15.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.452 1.764 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.926 HG22 ' H ' ' A' ' 82' ' ' SER . 6.3 p 163.26 -155.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.926 ' H ' HG22 ' A' ' 81' ' ' VAL . 2.5 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.493 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 26.3 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.734 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -146.95 144.85 29.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.732 HG22 HD21 ' A' ' 76' ' ' LEU . 1.2 t -118.88 144.92 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.823 ' O ' HD22 ' A' ' 76' ' ' LEU . 7.3 t -130.58 136.86 49.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.03 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.549 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.4 OUTLIER -119.83 117.5 53.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.642 HD21 ' OE1' ' A' ' 77' ' ' GLU . 1.3 pp -103.53 109.66 21.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.894 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -82.81 130.87 56.28 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.07 -8.07 19.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.53 1.805 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.507 ' C ' ' OD1' ' A' ' 18' ' ' ASN . 35.8 p30 -79.58 2.46 22.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.1 15.8 40.55 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.025 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.894 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -113.72 114.29 26.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 110.325 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -110.39 116.11 30.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.549 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 12.6 p-80 -139.11 138.67 37.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.563 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.594 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 3.5 t -118.74 132.08 56.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.372 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.608 ' O ' ' O ' ' A' ' 12' ' ' VAL . 79.2 t -120.44 126.39 75.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -83.75 118.09 23.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 m -122.11 168.45 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.713 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -90.45 154.25 46.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.713 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.2 Cg_endo -74.98 -12.38 21.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.433 1.754 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.3 p -109.81 -1.49 17.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.982 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.517 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.3 m -88.75 140.09 29.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.401 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.875 HG12 ' HG2' ' A' ' 64' ' ' GLN . 3.4 m -77.4 129.71 37.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.55 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -57.42 -21.31 35.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.537 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.6 pp -63.06 -45.45 92.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.71 -39.02 84.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -72.08 -50.26 38.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 14.1 tp -61.71 -41.55 97.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.537 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 13.0 mm-40 -67.14 -38.15 85.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.571 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 1.5 m-20 -66.74 -54.25 24.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.574 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 5.2 t -62.72 -34.5 77.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.368 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.586 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 20.1 m -68.33 -36.65 79.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 108.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.564 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -66.34 -48.75 69.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.574 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -73.74 -36.46 65.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.586 ' HG2' ' HA ' ' A' ' 40' ' ' CYS . 2.7 pt20 -93.75 13.13 23.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.486 ' C ' ' O ' ' A' ' 43' ' ' GLN . 4.2 p-10 33.75 69.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.703 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -130.06 159.23 37.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.977 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.43 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.6 m120 -124.47 145.22 48.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.17 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.661 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -74.97 -35.92 2.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.581 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 13.3 t -64.55 -8.57 14.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.966 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.592 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.5 mt-10 -124.0 -2.57 8.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.703 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 23.4 m-85 -143.39 139.5 30.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.894 ' C ' HD13 ' A' ' 52' ' ' LEU . 1.2 m-20 -131.27 147.41 52.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.894 HD13 ' C ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -121.6 136.1 54.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 57' ' ' THR . 1.1 tmmm? -148.7 137.42 21.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -127.94 113.76 16.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.944 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 38.1 tt0 60.65 -109.08 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.422 ' N ' ' HG2' ' A' ' 55' ' ' GLN . 7.7 mtp180 -110.73 14.89 22.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.403 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 3.1 m -120.55 127.83 52.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.441 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.529 ' C ' HD22 ' A' ' 59' ' ' LEU . 4.2 m -81.79 140.32 16.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.963 HD11 HD21 ' A' ' 70' ' ' LEU . 3.8 mm? -115.37 118.33 32.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.736 ' HB3' HD23 ' A' ' 63' ' ' LEU . 1.4 t70 -145.76 -147.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.661 HD11 ' HG3' ' A' ' 47' ' ' PRO . 9.5 mt -90.25 -40.24 12.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.88 ' C ' HD22 ' A' ' 63' ' ' LEU . 39.9 p -88.19 41.44 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.033 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.88 HD22 ' C ' ' A' ' 62' ' ' SER . 2.9 mm? -135.63 93.58 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.875 ' HG2' HG12 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -84.39 145.01 28.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.246 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.698 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.0 OUTLIER -63.51 -40.35 96.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 107.96 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.466 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 3.5 ptt180 -56.62 -17.19 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.466 ' CD2' ' HG3' ' A' ' 66' ' ' ARG . 23.0 m-85 -115.98 -60.97 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -55.64 -17.74 6.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 68' ' ' ALA . 5.7 p30 42.82 94.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.963 HD21 HD11 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -99.14 160.65 27.1 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.61 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -75.0 172.43 16.38 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.789 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.588 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -40.59 -85.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.734 ' C ' ' O ' ' A' ' 11' ' ' ALA . 1.0 OUTLIER -64.46 -1.71 1.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.61 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 27.01 83.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.981 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -90.68 120.54 31.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.981 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -115.61 152.37 33.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.642 ' OE1' HD21 ' A' ' 15' ' ' LEU . 1.8 mt-10 -101.41 133.0 46.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.55 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -90.69 134.02 34.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.732 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.3 p -146.1 134.72 10.96 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.8 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.1 Cg_endo -75.07 133.04 16.01 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.466 1.772 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.929 HG22 ' H ' ' A' ' 82' ' ' SER . 6.2 p 165.15 -166.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.929 ' H ' HG22 ' A' ' 81' ' ' VAL . 8.1 t -122.54 100.08 6.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.022 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER 51.46 173.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.06 150.69 35.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.96 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.418 ' OG ' ' HD3' ' A' ' 28' ' ' PRO . 95.6 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.73 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.26 146.99 29.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.791 HG22 HD11 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -118.74 137.1 53.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.143 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.528 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 4.7 t -120.61 135.31 55.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.491 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.82 117.44 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -104.02 109.7 21.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.897 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -80.82 131.7 59.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.405 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.06 -8.01 19.62 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 20' ' ' ARG . 50.6 p30 -79.64 2.74 21.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.74 15.87 41.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.897 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -114.61 114.49 25.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 110.273 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -110.23 116.15 30.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.491 ' O ' ' O ' ' A' ' 14' ' ' VAL . 11.9 p-80 -139.13 138.84 37.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.587 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.528 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 3.5 t -118.02 131.7 56.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 110.389 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.62 ' O ' ' O ' ' A' ' 12' ' ' VAL . 73.3 t -120.33 126.81 75.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -86.6 121.19 28.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.6 m -125.17 168.52 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.752 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -86.52 154.23 56.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.752 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.3 Cg_endo -75.02 -12.45 21.47 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.487 1.783 . . . . 0.0 110.956 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.3 p -108.57 -4.74 16.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.969 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.823 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.4 m -87.83 139.63 30.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.423 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.928 HG11 HD23 ' A' ' 33' ' ' LEU . 17.1 t -77.98 133.33 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 63' ' ' LEU . 1.1 mt -56.93 -21.28 28.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.928 HD23 HG11 ' A' ' 31' ' ' VAL . 1.2 pp -62.88 -44.84 95.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.823 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.0 OUTLIER -67.23 -39.27 86.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.287 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -72.06 -49.48 43.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.754 HD22 ' CD2' ' A' ' 61' ' ' LEU . 4.0 tt -60.93 -41.67 96.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 12.2 mm-40 -63.51 -43.23 97.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.591 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 4.6 m-20 -60.92 -54.16 48.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.565 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 44.9 m -62.72 -34.58 77.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.408 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 44' ' ' ASP . 10.5 m -68.34 -36.56 79.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 108.301 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.564 ' HG2' ' N ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -67.4 -48.88 66.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.591 ' CD ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -75.21 -37.37 61.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.258 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.567 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 2.4 pt20 -92.38 5.92 48.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 40' ' ' CYS . 5.2 p-10 39.83 67.16 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.817 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 m-85 -127.35 159.4 34.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.463 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -121.17 144.22 39.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.634 ' CB ' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.02 -36.26 2.64 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.529 ' C ' ' O ' ' A' ' 81' ' ' VAL . 10.9 t -65.29 -8.68 19.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.619 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 2.5 mm-40 -123.7 1.46 8.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.817 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 18.3 m-85 -146.0 139.47 26.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.625 ' N ' ' O ' ' A' ' 79' ' ' VAL . 6.5 m-20 -131.32 147.24 52.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.782 ' O ' ' N ' ' A' ' 59' ' ' LEU . 1.3 mm? -121.86 136.29 54.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 11.1 ttpt -148.85 139.59 22.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.356 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.835 ' HB2' HD23 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -122.94 113.79 19.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.475 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 34.1 tt0 56.56 -104.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.475 ' N ' ' HG2' ' A' ' 55' ' ' GLN . 8.3 mtp180 -110.8 14.34 22.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.554 ' O ' ' N ' ' A' ' 54' ' ' PHE . 3.4 m -117.93 132.03 56.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.448 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.434 ' O ' HD13 ' A' ' 63' ' ' LEU . 27.4 m -90.31 140.57 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.823 ' HG ' HD22 ' A' ' 76' ' ' LEU . 4.1 mm? -117.36 118.17 31.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.415 ' N ' HD12 ' A' ' 63' ' ' LEU . 8.1 t0 -138.18 -153.61 0.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.754 ' CD2' HD22 ' A' ' 36' ' ' LEU . 5.1 mt -90.31 -42.38 10.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.4 p -85.91 40.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.74 ' O ' HD12 ' A' ' 32' ' ' LEU . 44.0 mt -143.21 110.85 5.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.892 ' HG3' HG13 ' A' ' 31' ' ' VAL . 13.7 mp0 -94.13 156.14 16.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.669 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 0.7 OUTLIER -63.37 -38.71 92.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 107.995 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.514 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 17.0 ptt180 -56.12 -27.99 56.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.514 ' CD2' ' HG3' ' A' ' 66' ' ' ARG . 30.5 m-85 -100.9 -55.65 2.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -59.26 -19.94 50.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.46 ' O ' ' O ' ' A' ' 68' ' ' ALA . 5.3 p30 40.79 93.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.703 HD21 HD11 ' A' ' 59' ' ' LEU . 5.9 mt -104.93 158.14 32.67 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.691 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -75.01 172.6 16.04 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.497 1.788 . . . . 0.0 111.021 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.627 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -35.84 -90.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.73 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -63.88 -1.93 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 71' ' ' PRO . . . 24.35 88.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.439 ' HA ' ' HB3' ' A' ' 13' ' ' SER . 0.0 OUTLIER -85.94 122.18 29.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.835 HD23 ' HB2' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -122.1 153.82 38.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -103.98 144.31 31.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.503 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -99.23 134.47 42.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.625 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.5 p -145.88 136.03 11.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.842 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.98 133.1 16.21 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.954 HG22 ' H ' ' A' ' 82' ' ' SER . 6.6 p 162.04 -154.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.954 ' H ' HG22 ' A' ' 81' ' ' VAL . 9.1 p -130.42 175.16 9.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.042 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? -44.3 -57.21 3.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.94 149.35 17.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.009 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.2 mtt85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.601 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 31.7 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.707 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.23 143.12 27.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.839 HG22 HD21 ' A' ' 76' ' ' LEU . 1.1 t -118.68 137.48 52.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.802 ' O ' HD22 ' A' ' 76' ' ' LEU . 19.5 t -123.76 135.84 54.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.452 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.92 117.47 53.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.472 HD21 ' OE2' ' A' ' 77' ' ' GLU . 1.4 pp -102.55 109.58 21.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.908 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -81.58 131.07 59.12 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.99 -8.14 19.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.43 ' OD1' ' C ' ' A' ' 18' ' ' ASN . 18.5 p30 -79.67 3.5 18.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.91 15.75 44.32 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.446 1.091 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.908 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 1.5 mmt180 -114.04 114.39 26.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.25 116.01 30.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.452 ' O ' ' O ' ' A' ' 14' ' ' VAL . 3.0 p80 -139.19 138.6 37.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.581 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.578 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 0.5 OUTLIER -118.77 131.94 56.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.345 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.615 ' O ' ' O ' ' A' ' 12' ' ' VAL . 73.6 t -120.31 123.51 70.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.44 111.37 14.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.618 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.0 m -112.22 168.42 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.925 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -96.23 154.28 38.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.363 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.925 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.3 Cg_endo -75.01 -12.72 21.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.778 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 p -110.91 -5.51 14.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.972 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.448 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.6 m -87.94 140.15 29.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.439 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.976 HG12 ' CG ' ' A' ' 64' ' ' GLN . 6.0 m -77.38 127.48 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.829 HD13 HD23 ' A' ' 59' ' ' LEU . 5.8 mt -56.91 -21.43 29.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.5 pp -64.08 -45.15 90.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.61 -38.96 84.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.562 HG13 ' O ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -72.03 -50.05 39.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.613 HD23 ' CD2' ' A' ' 61' ' ' LEU . 16.5 tp -60.01 -39.4 85.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 6.8 mm-40 -64.68 -44.03 91.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.523 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 5.3 m-20 -60.11 -54.18 48.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.584 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 64.0 m -62.11 -34.85 77.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.413 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.509 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 17.2 m -68.17 -36.62 79.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 108.327 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.565 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 2.6 ptt180 -68.02 -48.88 64.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.584 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.3 OUTLIER -74.93 -37.26 62.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.555 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 1.8 pt20 -90.76 3.47 54.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 40' ' ' CYS . 3.0 p-10 42.72 66.66 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.799 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.2 m-85 -128.02 159.28 35.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.5 m-20 -123.13 144.32 43.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.896 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -74.99 -35.26 3.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.524 ' C ' ' O ' ' A' ' 81' ' ' VAL . 30.0 t -66.47 -8.35 25.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.634 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.4 mm-40 -123.35 1.36 9.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.799 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 17.5 m-85 -146.65 139.17 25.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.67 ' N ' ' O ' ' A' ' 79' ' ' VAL . 4.0 m-20 -131.58 147.68 52.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.761 ' O ' ' N ' ' A' ' 59' ' ' LEU . 10.3 mt -121.47 133.92 55.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 57' ' ' THR . 3.7 tmmm? -147.89 138.73 23.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.43 ' CE1' ' HG3' ' A' ' 55' ' ' GLN . 4.1 t80 -124.71 113.7 18.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.43 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 9.7 mt-30 59.63 -107.3 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.351 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.2 mmp_? -110.88 14.98 22.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.451 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 2.7 m -120.96 120.95 36.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.658 ' O ' HD13 ' A' ' 63' ' ' LEU . 27.0 m -81.97 140.68 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.861 HD21 HD21 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -119.4 125.12 48.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.631 ' N ' HD12 ' A' ' 63' ' ' LEU . 1.8 t70 -142.07 -149.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.896 HD11 ' HG3' ' A' ' 47' ' ' PRO . 96.0 mt -90.21 -40.38 12.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.5 p -85.63 38.27 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.813 ' O ' HD12 ' A' ' 32' ' ' LEU . 31.6 mt -142.07 107.71 5.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.976 ' CG ' HG12 ' A' ' 31' ' ' VAL . 19.2 mp0 -93.99 157.26 16.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.698 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.2 t90 -63.36 -43.06 98.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 108.019 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -56.2 -15.89 4.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -111.53 -61.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -60.4 -17.73 45.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.459 ' O ' ' O ' ' A' ' 68' ' ' ALA . 8.1 p-10 42.5 95.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.861 HD21 HD21 ' A' ' 59' ' ' LEU . 5.8 mt -102.78 157.74 33.13 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.708 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -75.0 172.46 16.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.788 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.646 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -37.76 -87.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.707 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -63.69 -1.94 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 71' ' ' PRO . . . 22.33 90.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 1.03 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -93.42 121.0 34.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.03 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -116.82 153.21 32.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.472 ' OE2' HD21 ' A' ' 15' ' ' LEU . 2.6 mt-10 -101.93 132.76 47.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.489 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -88.89 135.43 33.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.953 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.67 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.1 m -146.06 135.99 11.82 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.852 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.99 132.99 16.06 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.526 1.803 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.949 HG22 ' H ' ' A' ' 82' ' ' SER . 6.8 p 160.79 -154.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.949 ' H ' HG22 ' A' ' 81' ' ' VAL . 10.1 p -130.51 174.75 9.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -39.37 129.18 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.97 159.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.027 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.506 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 1.8 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.685 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.23 141.91 26.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.783 HG22 HD21 ' A' ' 76' ' ' LEU . 1.2 t -118.75 143.76 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.794 ' O ' HD22 ' A' ' 76' ' ' LEU . 30.0 t -129.76 135.75 48.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.988 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.474 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.73 117.48 53.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.647 HD21 ' OE1' ' A' ' 77' ' ' GLU . 1.3 pp -103.79 109.78 21.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.91 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -82.54 130.82 57.27 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.05 -8.16 19.77 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.52 ' OD1' ' HB2' ' A' ' 20' ' ' ARG . 40.8 p30 -79.71 1.47 26.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.24 15.92 36.79 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.91 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 7.7 mmp_? -113.97 114.49 26.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.15 115.97 30.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.474 ' O ' ' O ' ' A' ' 14' ' ' VAL . 11.9 p-80 -139.26 138.68 36.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.562 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.579 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 4.7 t -118.79 132.71 56.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.372 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.585 ' O ' ' O ' ' A' ' 12' ' ' VAL . 53.6 t -120.61 128.63 76.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.234 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.99 116.73 23.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.414 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.5 m -119.49 168.41 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.682 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -92.24 154.22 43.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.46 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.706 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.2 Cg_endo -74.99 -12.7 21.53 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.487 1.783 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 p -111.03 -3.2 15.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -88.74 140.06 29.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.688 HG12 ' CG ' ' A' ' 64' ' ' GLN . 13.3 m -77.24 127.34 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.951 HD13 HD12 ' A' ' 59' ' ' LEU . 65.3 mt -56.93 -21.22 28.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.503 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.8 pp -63.02 -45.59 91.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.612 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.75 -37.84 82.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.612 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.3 -48.09 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.483 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 19.5 tp -62.78 -37.64 87.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 5.7 mm-40 -65.97 -43.46 87.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.489 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 1.4 m-20 -62.36 -53.98 47.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.561 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 6.2 m -59.84 -36.67 77.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.407 1.067 . . . . 0.0 110.412 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.509 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 16.5 m -68.21 -36.69 79.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 108.309 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.563 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -68.04 -48.96 64.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.107 . . . . 0.0 110.321 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.563 ' N ' ' CG ' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -74.99 -37.29 61.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.567 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 1.5 pt20 -90.77 3.22 54.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' CYS . 1.3 p30 42.68 66.2 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.795 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.2 m-85 -127.36 159.2 35.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.447 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 4.8 t30 -122.77 143.98 41.56 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 50' ' ' TYR . 18.3 Cg_endo -75.02 -35.86 2.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.514 ' C ' ' O ' ' A' ' 81' ' ' VAL . 47.7 t -65.39 -8.33 18.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.634 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 2.6 mm-40 -123.58 -0.09 8.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.27 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.795 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 15.0 m-85 -145.95 139.34 26.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.679 ' N ' ' O ' ' A' ' 79' ' ' VAL . 6.5 m-20 -131.42 147.58 52.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.741 ' O ' ' N ' ' A' ' 59' ' ' LEU . 4.5 mp -121.54 136.96 54.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 57' ' ' THR . 3.1 tmmm? -149.05 143.23 25.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.482 ' HB3' ' CD2' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -134.3 113.71 12.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.462 ' CG ' ' N ' ' A' ' 56' ' ' ARG . 3.7 tp60 58.95 -108.04 0.38 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.462 ' N ' ' CG ' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -110.72 14.93 22.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.137 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.406 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 3.0 m -120.57 126.62 50.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.406 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.4 ' HA ' ' HG2' ' A' ' 53' ' ' LYS . 4.3 m -83.79 140.36 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.951 HD12 HD13 ' A' ' 32' ' ' LEU . 4.3 mm? -113.55 117.14 30.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.699 ' HB3' HD23 ' A' ' 63' ' ' LEU . 3.4 t0 -144.36 -148.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.408 HD11 ' CG ' ' A' ' 47' ' ' PRO . 16.6 mt -90.1 -38.14 13.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.849 ' C ' HD22 ' A' ' 63' ' ' LEU . 38.9 p -88.7 39.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.849 HD22 ' C ' ' A' ' 62' ' ' SER . 3.0 mm? -135.95 102.2 4.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.688 ' CG ' HG12 ' A' ' 31' ' ' VAL . 22.5 mp0 -93.93 147.93 22.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.706 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.1 t90 -63.31 -42.99 99.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -57.28 -15.85 7.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -112.85 -63.58 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -58.54 -13.97 6.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.428 ' ND2' ' C ' ' A' ' 68' ' ' ALA . 5.3 p30 40.7 90.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.73 HD11 HD11 ' A' ' 59' ' ' LEU . 54.7 mt -95.47 161.26 28.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.649 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -75.03 172.45 16.34 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.59 1.837 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.581 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -45.34 -76.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.685 ' C ' ' O ' ' A' ' 11' ' ' ALA . 1.6 m-20 -68.13 -1.82 6.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.649 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 24.05 84.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 1.019 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -90.86 122.68 33.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.019 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -121.07 149.5 42.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.647 ' OE1' HD21 ' A' ' 15' ' ' LEU . 1.6 mt-10 -101.67 135.17 43.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.414 ' HE3' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -90.92 136.39 33.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.679 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -146.1 136.45 12.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.869 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.03 132.98 15.99 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.932 HG22 ' H ' ' A' ' 82' ' ' SER . 6.3 p 159.87 -153.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.932 ' H ' HG22 ' A' ' 81' ' ' VAL . 77.8 p -129.33 177.05 7.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 82' ' ' SER . 0.4 OUTLIER -35.6 -59.92 0.54 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 85' ' ' ARG . 0.2 OUTLIER 65.48 82.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.023 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 84' ' ' SER . 1.4 mmp_? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.269 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.487 ' OG ' ' CZ2' ' A' ' 65' ' ' TRP . 1.4 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.783 ' HB3' ' HA ' ' A' ' 73' ' ' ASN . . . -147.12 140.96 25.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.731 HG22 HD21 ' A' ' 76' ' ' LEU . 1.2 t -118.82 132.32 69.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.825 ' O ' HD22 ' A' ' 76' ' ' LEU . 11.3 t -122.05 135.23 54.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.961 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.556 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.64 117.31 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.256 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 15' ' ' LEU . 1.4 pp -102.23 109.65 21.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 1.075 ' HB1' ' OD1' ' A' ' 18' ' ' ASN . . . -82.77 131.25 55.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.02 -8.33 19.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.791 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 1.075 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 1.1 p-10 -79.86 6.03 12.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.97 15.89 52.79 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.926 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 3.5 mmt-85 -113.7 114.44 26.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.774 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.3 115.98 30.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.556 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 9.1 p-80 -139.26 138.61 36.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.605 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.58 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 4.5 t -118.84 132.95 56.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.403 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.643 ' O ' ' O ' ' A' ' 12' ' ' VAL . 77.8 t -120.48 124.38 72.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.17 113.03 19.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.407 1.067 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.479 HG22 ' HB ' ' A' ' 12' ' ' VAL . 3.8 m -117.49 168.52 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.661 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -90.28 154.33 46.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.661 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.3 Cg_endo -74.98 -12.3 21.54 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.474 1.776 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 p -109.6 -2.33 17.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.027 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -87.56 140.38 29.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.409 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.942 HG12 ' HG2' ' A' ' 64' ' ' GLN . 11.9 m -77.08 126.94 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.731 HD13 HD12 ' A' ' 59' ' ' LEU . 4.2 mt -56.7 -21.45 27.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.524 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.3 pp -64.14 -44.06 93.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.654 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.89 -37.25 81.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.654 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.46 -50.22 36.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 13.5 tp -60.48 -39.52 87.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 5.2 mm-40 -65.43 -44.44 87.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.33 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.562 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 1.2 m-20 -59.85 -54.1 50.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.575 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 13.0 p -63.1 -35.23 79.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.391 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.526 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 15.4 m -68.14 -36.64 80.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.321 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.567 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -67.97 -48.8 64.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.575 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -75.12 -37.38 61.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.551 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 2.9 pt20 -91.43 4.51 52.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 40' ' ' CYS . 3.5 p-10 41.4 66.95 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.818 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.2 m-85 -127.77 159.35 35.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.439 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 2.2 m-20 -122.53 145.41 44.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.873 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.07 -35.13 3.27 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.543 1.812 . . . . 0.0 111.035 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.536 ' C ' ' O ' ' A' ' 81' ' ' VAL . 10.2 t -66.28 -8.4 24.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.636 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.6 mt-10 -123.56 0.68 8.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.818 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 18.7 m-85 -147.47 139.48 24.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.624 ' HB2' HG12 ' A' ' 81' ' ' VAL . 7.0 m-20 -131.33 147.7 52.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.79 ' O ' ' N ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -121.37 134.0 55.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 57' ' ' THR . 3.9 tmmm? -147.09 142.83 27.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.534 ' CE2' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -130.14 113.65 14.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 56.78 -105.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.88 14.84 22.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.433 ' HB ' ' CD2' ' A' ' 54' ' ' PHE . 5.8 m -120.46 123.01 41.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.41 ' O ' HD13 ' A' ' 63' ' ' LEU . 29.2 m -82.9 140.66 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.976 HD11 HD21 ' A' ' 70' ' ' LEU . 4.0 mm? -115.86 117.63 30.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.444 ' N ' HD12 ' A' ' 63' ' ' LEU . 7.7 t0 -139.17 -154.14 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.873 HD11 ' HG3' ' A' ' 47' ' ' PRO . 51.4 mt -90.25 -42.59 10.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.42 ' O ' HD23 ' A' ' 63' ' ' LEU . 88.1 p -85.02 39.57 0.77 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.71 ' O ' HD12 ' A' ' 32' ' ' LEU . 23.9 mt -144.55 109.12 4.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.942 ' HG2' HG12 ' A' ' 31' ' ' VAL . 14.4 mp0 -94.03 157.18 16.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.657 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 0.8 OUTLIER -63.34 -42.33 98.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 108.006 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 ptm85 -56.77 -15.97 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -111.64 -61.58 1.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.442 ' C ' ' ND2' ' A' ' 69' ' ' ASN . . . -56.78 -17.65 9.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.442 ' ND2' ' C ' ' A' ' 68' ' ' ALA . 5.2 p30 42.05 92.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.976 HD21 HD11 ' A' ' 59' ' ' LEU . 1.3 mt -103.88 162.48 19.81 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.614 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.98 172.37 16.5 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.575 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -43.42 -82.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.783 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 32.4 t-20 -61.84 -2.68 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 11' ' ' ALA . . . 23.23 89.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.913 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -94.26 116.1 28.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.913 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -111.75 150.45 30.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 3.8 pt-20 -101.53 133.38 46.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.246 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.454 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -90.31 128.03 36.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.593 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.8 m -139.86 137.18 18.04 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.858 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.01 132.95 15.98 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.926 HG22 ' H ' ' A' ' 82' ' ' SER . 7.9 p 160.3 -150.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.926 ' H ' HG22 ' A' ' 81' ' ' VAL . 56.9 p -131.82 172.57 12.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.439 ' HA ' ' OD2' ' A' ' 60' ' ' ASP . 19.7 mtp180 -47.81 116.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 62.3 p -85.92 125.41 33.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.051 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.506 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 4.3 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.76 ' HB3' ' HA ' ' A' ' 73' ' ' ASN . . . -147.24 140.19 25.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.007 ' CG1' HD21 ' A' ' 76' ' ' LEU . 2.7 t -119.22 143.28 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.734 ' O ' HD22 ' A' ' 76' ' ' LEU . 47.9 t -134.18 133.77 41.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.981 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.5 OUTLIER -119.92 117.52 53.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pp -103.02 109.75 21.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.922 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -83.29 130.74 55.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -74.95 -8.1 19.82 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.473 1.775 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 20' ' ' ARG . 45.8 p30 -79.55 4.31 16.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.78 15.75 48.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.922 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -114.38 114.29 25.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 110.323 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.35 116.18 30.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' A' ' 14' ' ' VAL . 4.8 p80 -137.97 138.61 39.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.565 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 3.5 t -118.83 133.52 55.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.416 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.614 ' O ' ' O ' ' A' ' 12' ' ' VAL . 62.4 t -120.52 131.93 71.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.6 111.86 23.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.895 HG22 HG21 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -125.28 168.54 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.627 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -82.22 153.61 69.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.375 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.632 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.4 Cg_endo -75.0 -13.68 21.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.9 p -101.41 -3.02 29.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.77 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.8 m -88.68 139.95 29.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.955 HG11 HD23 ' A' ' 33' ' ' LEU . 13.0 t -77.45 132.97 31.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.616 HD11 HD11 ' A' ' 70' ' ' LEU . 1.8 mt -57.35 -21.4 35.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.955 HD23 HG11 ' A' ' 31' ' ' VAL . 1.6 pp -62.38 -44.81 95.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.77 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.0 OUTLIER -67.71 -40.74 84.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -72.26 -48.27 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.683 HD22 HD21 ' A' ' 61' ' ' LEU . 8.2 tt -58.7 -45.85 88.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 6.8 mm-40 -64.99 -38.31 90.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.592 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 4.8 m-20 -59.79 -54.27 48.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.641 HG23 ' OE1' ' A' ' 43' ' ' GLN . 5.3 t -66.11 -34.3 77.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.386 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.539 ' SG ' HD23 ' A' ' 36' ' ' LEU . 13.1 m -67.9 -36.53 80.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 108.331 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.569 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.38 -48.99 65.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.592 ' CD ' ' O ' ' A' ' 38' ' ' ASP . 0.3 OUTLIER -75.14 -37.46 61.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.641 ' OE1' HG23 ' A' ' 39' ' ' THR . 2.5 pt20 -91.37 4.06 53.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 40' ' ' CYS . 8.8 p-10 41.81 66.98 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.809 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.2 m-85 -127.65 159.29 35.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -121.1 145.39 41.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.849 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.03 -34.9 3.44 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.542 ' C ' ' O ' ' A' ' 81' ' ' VAL . 8.8 t -65.73 -8.4 20.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.613 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 18.4 mt-10 -123.05 -0.67 8.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.809 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 27.0 m-85 -146.83 139.35 24.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.678 ' HB2' HG12 ' A' ' 81' ' ' VAL . 6.6 m-20 -131.28 147.57 52.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.794 ' O ' ' N ' ' A' ' 59' ' ' LEU . 3.3 mp -121.68 133.9 54.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 57' ' ' THR . 2.2 ttpt -148.54 143.16 26.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.607 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -129.52 113.85 15.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.443 ' CG ' ' N ' ' A' ' 56' ' ' ARG . 5.5 tt0 60.09 -106.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.443 ' N ' ' CG ' ' A' ' 55' ' ' GLN . 3.1 mtm105 -110.64 14.81 22.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.5 ' HB ' ' CD2' ' A' ' 54' ' ' PHE . 8.7 m -118.78 128.19 54.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.481 ' O ' HD13 ' A' ' 63' ' ' LEU . 35.8 m -89.44 140.59 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.94 HD13 ' HB3' ' A' ' 76' ' ' LEU . 0.9 OUTLIER -116.03 120.04 37.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.47 ' OD2' ' CB ' ' A' ' 83' ' ' ARG . 9.0 t0 -139.66 -152.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.849 HD11 ' CG ' ' A' ' 47' ' ' PRO . 14.5 mt -90.34 -42.49 10.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 95.4 p -85.9 40.74 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.941 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.495 ' O ' HD12 ' A' ' 32' ' ' LEU . 34.7 mt -144.71 111.17 5.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.798 ' HG3' HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -93.67 157.16 16.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.864 ' CE3' HD12 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -63.43 -45.4 91.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 107.998 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -58.36 -14.17 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -103.67 -62.98 1.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.494 ' C ' ' ND2' ' A' ' 69' ' ' ASN . . . -65.97 -11.7 49.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.494 ' ND2' ' C ' ' A' ' 68' ' ' ALA . 1.9 p30 41.48 93.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.864 HD12 ' CE3' ' A' ' 65' ' ' TRP . 5.2 mt -95.39 161.19 28.74 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.686 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.96 172.46 16.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.771 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.619 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -40.71 -82.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.76 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 1.1 t-20 -65.13 -1.84 2.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.686 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 27.19 88.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.997 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -98.24 117.72 33.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.007 HD21 ' CG1' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -114.82 154.11 29.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -101.8 131.09 48.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.416 ' O ' ' HG3' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -85.9 134.77 33.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.612 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -146.1 136.05 11.85 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.838 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.97 132.89 15.97 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.924 HG22 ' H ' ' A' ' 82' ' ' SER . 8.8 p 161.17 -149.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.924 ' H ' HG22 ' A' ' 81' ' ' VAL . 51.8 p -133.58 174.12 10.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.47 ' CB ' ' OD2' ' A' ' 60' ' ' ASP . 1.0 OUTLIER -50.61 -41.34 54.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 t -174.63 170.38 3.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.571 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 60.8 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.747 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -146.5 144.2 29.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.962 HG22 HD21 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -118.72 131.52 71.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.891 ' O ' HD22 ' A' ' 76' ' ' LEU . 8.6 t -120.6 131.49 54.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.609 HG13 ' HB2' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -119.71 117.3 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.881 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -106.62 122.25 45.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -88.11 135.94 32.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.04 -8.58 20.16 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.406 ' OD1' ' C ' ' A' ' 18' ' ' ASN . 15.5 p30 -80.04 2.36 24.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.37 15.92 39.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.681 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 1.4 mtt180 -111.11 114.28 27.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 0.757 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.436 ' NE ' ' HB2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -110.38 119.99 40.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.537 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 10.2 p-80 -139.26 134.49 32.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.587 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 3.6 t -118.71 126.98 53.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.445 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.765 ' O ' ' O ' ' A' ' 12' ' ' VAL . 59.1 t -120.46 123.43 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.86 113.78 21.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.579 HG22 ' HB ' ' A' ' 12' ' ' VAL . 2.9 m -119.5 168.56 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.26 154.41 44.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.369 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.682 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.2 Cg_endo -75.05 -12.21 21.4 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 p -108.99 -2.91 17.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.528 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.5 m -88.7 140.23 29.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.425 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.927 HG12 ' HG2' ' A' ' 64' ' ' GLN . 5.2 m -77.28 128.82 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.527 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -56.81 -21.08 26.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.57 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.7 pp -63.51 -45.45 90.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.247 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.528 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.0 OUTLIER -67.67 -39.18 84.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -72.27 -49.87 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.511 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 11.2 tp -61.42 -43.05 99.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.57 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.6 mm-40 -61.63 -44.22 97.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.317 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.551 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -64.76 -54.28 33.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.576 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 89.1 m -57.19 -35.69 69.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.563 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 13.6 m -68.18 -36.52 79.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 108.307 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.561 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -67.33 -48.46 67.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.576 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -74.79 -37.34 62.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 110.306 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.578 ' CG ' ' HB2' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -94.69 10.11 36.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 40' ' ' CYS . 1.7 p30 34.87 66.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.578 ' HB2' ' CG ' ' A' ' 43' ' ' GLN . 1.1 m-30 -126.41 159.28 33.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.439 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 0.8 OUTLIER -123.58 142.11 38.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.506 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.5 Cg_endo -74.93 -35.75 3.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.501 ' C ' ' O ' ' A' ' 81' ' ' VAL . 30.7 t -65.54 -8.43 19.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.973 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.605 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.8 mm-40 -123.6 -0.4 8.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.514 ' N ' ' O ' ' A' ' 81' ' ' VAL . 21.5 m-85 -146.94 139.38 24.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.683 ' N ' ' O ' ' A' ' 79' ' ' VAL . 5.2 m-20 -131.31 147.33 52.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.721 ' O ' ' N ' ' A' ' 59' ' ' LEU . 19.5 mt -121.69 137.21 54.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -148.68 143.16 26.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.46 ' CZ ' ' HG3' ' A' ' 71' ' ' PRO . 1.1 t80 -132.75 113.8 13.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 58.23 -107.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -110.56 14.85 22.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.6 m -119.92 133.07 55.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.515 ' C ' HD22 ' A' ' 59' ' ' LEU . 18.6 m -89.42 140.31 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.791 HD11 HD11 ' A' ' 70' ' ' LEU . 2.7 mm? -115.2 119.69 37.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.749 ' HB3' HD23 ' A' ' 63' ' ' LEU . 5.1 t0 -150.39 -149.43 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.506 HD11 ' CG ' ' A' ' 47' ' ' PRO . 0.8 OUTLIER -89.89 -42.25 11.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.77 ' C ' HD22 ' A' ' 63' ' ' LEU . 44.8 p -87.2 40.96 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.77 HD22 ' C ' ' A' ' 62' ' ' SER . 3.3 mm? -137.59 96.57 3.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.927 ' HG2' HG12 ' A' ' 31' ' ' VAL . 2.8 mp0 -82.83 147.0 28.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.682 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.4 t90 -63.34 -41.73 98.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 108.023 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -56.34 -16.05 4.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -112.32 -54.72 2.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -64.52 -17.47 63.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 69' ' ' ASN . 8.5 p-10 39.52 91.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.791 HD11 HD11 ' A' ' 59' ' ' LEU . 25.1 mt -98.41 159.93 29.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.643 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -74.98 172.51 16.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.781 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.638 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -35.05 -90.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.747 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -64.27 -1.96 1.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.643 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 28.63 92.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 1.024 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -90.41 124.62 35.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.024 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -118.23 151.73 37.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.541 ' HA ' HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -101.36 129.56 47.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.424 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -86.63 132.8 33.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.683 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.2 m -146.15 134.64 10.88 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.863 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.06 133.09 16.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.944 HG22 ' H ' ' A' ' 82' ' ' SER . 7.3 p 160.61 -152.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.944 ' H ' HG22 ' A' ' 81' ' ' VAL . 47.0 p -131.44 175.4 9.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.401 ' HA ' ' OD2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -56.41 133.62 53.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.5 t -96.39 94.05 7.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.469 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 28.9 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.754 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -145.25 143.47 30.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.75 HG22 HD21 ' A' ' 76' ' ' LEU . 1.1 t -118.93 143.63 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.879 ' O ' HD22 ' A' ' 76' ' ' LEU . 39.8 t -127.36 137.63 52.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.484 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.5 OUTLIER -119.79 117.54 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -104.18 109.64 21.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.893 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -83.69 131.37 52.37 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 16' ' ' ALA . 18.3 Cg_endo -75.02 -8.07 19.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.799 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.494 ' ND2' ' HB1' ' A' ' 16' ' ' ALA . 10.8 p30 -79.71 4.36 16.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.87 15.87 47.32 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.893 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 3.8 mmt85 -113.99 114.37 26.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.757 . . . . 0.0 110.26 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.38 116.02 30.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.484 ' O ' ' O ' ' A' ' 14' ' ' VAL . 11.8 p-80 -139.23 138.36 36.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.596 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.593 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 5.0 t -118.75 132.48 56.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.632 ' O ' ' O ' ' A' ' 12' ' ' VAL . 60.2 t -120.55 128.72 76.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 7.8 pttt -84.34 115.49 22.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 m -114.01 168.47 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.639 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -92.71 154.2 42.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.356 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.676 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.2 Cg_endo -74.98 -12.3 21.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.537 1.809 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.0 p -112.3 -5.69 14.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.453 HG23 ' NE2' ' A' ' 34' ' ' GLN . 2.1 m -88.81 140.15 29.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.365 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.967 HG11 HD23 ' A' ' 33' ' ' LEU . 16.9 t -77.35 145.23 10.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.612 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -68.48 -21.35 64.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.967 HD23 HG11 ' A' ' 31' ' ' VAL . 1.8 pp -60.3 -43.66 96.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.616 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.78 -39.52 84.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.616 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.46 -48.52 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.693 HD23 ' SG ' ' A' ' 40' ' ' CYS . 5.5 tt -58.65 -46.44 87.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 3.7 mm-40 -66.79 -39.26 87.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.622 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -60.04 -54.37 46.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.579 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 9.6 t -65.92 -34.28 77.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.693 ' SG ' HD23 ' A' ' 36' ' ' LEU . 13.2 m -67.49 -36.35 80.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 108.273 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.725 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.14 -48.62 67.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.725 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -75.2 -37.37 61.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.583 ' HG2' ' HA ' ' A' ' 40' ' ' CYS . 3.9 pt20 -93.2 7.55 43.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 40' ' ' CYS . 3.8 p-10 38.24 67.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.77 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 m-85 -127.45 159.39 34.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -122.82 145.21 44.81 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.535 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.0 -34.86 3.5 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.5 1.789 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.501 ' C ' ' O ' ' A' ' 81' ' ' VAL . 7.7 t -65.2 -8.41 17.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.592 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.5 mm-40 -123.58 -0.87 8.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.77 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 20.8 m-85 -146.47 139.27 25.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.678 ' HB2' HG12 ' A' ' 81' ' ' VAL . 3.7 m-20 -131.46 147.27 52.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.787 ' O ' ' N ' ' A' ' 59' ' ' LEU . 1.8 mp -121.79 134.77 54.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -148.99 143.15 25.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.533 ' CE1' ' HG3' ' A' ' 55' ' ' GLN . 0.4 OUTLIER -129.67 113.76 15.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.533 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 21.1 mm-40 58.89 -106.27 0.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.3 mtt-85 -110.71 14.8 22.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.6 m -118.55 135.38 54.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.417 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.59 ' C ' HD22 ' A' ' 59' ' ' LEU . 4.2 m -91.08 140.4 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.787 ' N ' ' O ' ' A' ' 52' ' ' LEU . 2.6 mm? -117.87 118.0 30.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.699 ' CB ' HD23 ' A' ' 63' ' ' LEU . 1.1 t70 -146.44 -146.81 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.535 HD11 ' CG ' ' A' ' 47' ' ' PRO . 1.6 mt -90.18 -39.74 12.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.803 ' C ' HD22 ' A' ' 63' ' ' LEU . 39.4 p -87.42 40.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.803 HD22 ' C ' ' A' ' 62' ' ' SER . 3.1 mm? -132.9 99.4 4.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.899 ' HG3' HG13 ' A' ' 31' ' ' VAL . 11.7 mp0 -90.21 144.52 25.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.691 ' HA ' HD22 ' A' ' 70' ' ' LEU . 1.3 t90 -63.28 -39.32 94.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 108.009 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -60.63 -12.41 10.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -116.42 -62.22 1.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -60.2 -16.23 31.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 69' ' ' ASN . 8.2 p-10 40.91 87.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.691 HD22 ' HA ' ' A' ' 65' ' ' TRP . 0.4 OUTLIER -87.56 158.56 51.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.608 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.97 172.46 16.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.511 1.795 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.619 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -36.97 -89.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.754 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.9 OUTLIER -64.65 -1.82 2.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.608 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 27.98 85.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 1.011 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -89.95 123.49 33.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.011 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -117.74 152.18 35.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 1.8 pt-20 -101.39 131.16 47.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.84 133.15 34.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.612 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.7 p -145.98 137.13 12.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.846 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.01 132.85 15.87 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.929 HG22 ' H ' ' A' ' 82' ' ' SER . 5.9 p 161.39 -154.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.929 ' H ' HG22 ' A' ' 81' ' ' VAL . 58.6 p -130.15 178.35 6.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.22 147.07 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.9 t -67.03 120.63 13.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.983 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.403 ' OG ' ' HD3' ' A' ' 28' ' ' PRO . 20.9 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.75 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.11 142.66 27.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.945 HG12 HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -118.91 131.72 70.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.734 ' O ' ' N ' ' A' ' 76' ' ' LEU . 8.9 t -118.43 129.76 55.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.693 HG13 ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -119.77 117.1 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.697 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -107.04 123.64 48.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -87.63 136.67 32.67 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.488 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.98 -8.42 20.08 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.54 1.811 . . . . 0.0 111.055 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.535 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 32.4 p-10 -79.97 -0.05 33.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.36 15.8 31.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.635 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -111.32 114.17 27.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 110.301 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.44 118.09 35.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.597 ' O ' ' O ' ' A' ' 14' ' ' VAL . 8.7 p-80 -139.13 138.02 36.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.655 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.496 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 2.4 t -118.72 129.74 55.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.377 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.67 ' O ' ' O ' ' A' ' 12' ' ' VAL . 97.0 t -120.38 123.37 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.13 113.05 25.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.731 HG22 ' CG2' ' A' ' 12' ' ' VAL . 1.1 m -118.04 168.58 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.494 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -84.04 154.48 63.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.689 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -75.01 -12.29 21.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.8 p -109.91 -2.01 17.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 110.043 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.407 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.2 m -88.83 140.32 29.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.366 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.637 HG12 ' CG ' ' A' ' 64' ' ' GLN . 3.9 m -77.2 129.56 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.787 HD12 ' O ' ' A' ' 63' ' ' LEU . 6.6 mt -58.74 -21.31 54.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.535 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.7 pp -62.2 -45.91 91.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.513 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.51 -39.73 85.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -72.09 -48.92 47.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.037 HD22 HD21 ' A' ' 61' ' ' LEU . 7.8 tt -58.52 -44.84 89.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.535 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.5 mm-40 -66.72 -38.62 87.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.55 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -59.99 -54.24 48.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.591 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 5.0 t -60.84 -34.49 74.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.379 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.529 ' O ' ' N ' ' A' ' 44' ' ' ASP . 9.2 m -68.17 -36.63 79.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 108.293 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.703 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.91 -48.59 65.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.703 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -75.11 -37.32 61.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.248 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.557 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 3.1 pt20 -93.49 7.23 45.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 40' ' ' CYS . 1.3 p30 38.87 67.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.822 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 m-85 -127.65 159.36 34.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -118.93 141.0 29.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.7 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -75.0 -34.21 4.0 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.554 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 39.2 t -65.01 -8.54 16.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.573 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 63.6 mt-10 -123.77 -1.78 8.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.822 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 20.1 m-85 -141.71 139.43 32.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.621 ' CG ' HG23 ' A' ' 81' ' ' VAL . 19.9 m-20 -131.24 147.42 52.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.772 ' O ' ' N ' ' A' ' 59' ' ' LEU . 3.6 mp -121.64 136.03 54.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 57' ' ' THR . 26.2 ttpt -146.61 140.15 25.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.582 ' CZ ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -129.42 113.86 15.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.472 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 2.9 mt-30 59.6 -107.96 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.55 14.4 22.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.456 ' HB ' ' CD2' ' A' ' 54' ' ' PHE . 13.9 m -119.15 133.25 55.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.5 ' C ' HD22 ' A' ' 59' ' ' LEU . 13.8 m -88.63 140.46 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.995 ' HG ' HD22 ' A' ' 76' ' ' LEU . 2.9 mm? -113.71 117.8 32.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -147.62 -159.97 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.037 HD21 HD22 ' A' ' 36' ' ' LEU . 10.7 mt -90.27 10.6 24.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.739 ' C ' HD22 ' A' ' 63' ' ' LEU . 5.2 p -132.41 34.91 3.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.978 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.787 ' O ' HD12 ' A' ' 32' ' ' LEU . 2.8 mm? -142.6 110.56 5.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.637 ' CG ' HG12 ' A' ' 31' ' ' VAL . 1.1 mp0 -94.13 148.37 22.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.735 ' CE3' HD23 ' A' ' 70' ' ' LEU . 1.2 t-105 -63.34 -40.36 97.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 108.033 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -57.36 -16.49 9.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -113.2 -52.85 2.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.408 ' C ' ' OD1' ' A' ' 69' ' ' ASN . . . -64.82 -20.71 66.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.438 ' C ' HD13 ' A' ' 70' ' ' LEU . 8.8 p-10 40.65 88.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.735 HD23 ' CE3' ' A' ' 65' ' ' TRP . 0.2 OUTLIER -91.51 159.87 37.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.644 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.1 Cg_endo -75.05 172.49 16.27 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.64 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -32.76 -93.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.75 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -64.86 -1.95 2.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.671 ' HB1' ' HB3' ' A' ' 70' ' ' LEU . . . 30.23 86.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.58 125.04 29.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.995 HD22 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -122.13 153.57 38.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.584 ' HA ' HD13 ' A' ' 15' ' ' LEU . 2.5 pt-20 -106.7 135.89 47.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.257 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.488 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -93.77 132.53 38.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.975 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.571 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.6 p -146.12 133.99 10.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.956 ' O ' HG13 ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.92 133.12 16.32 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.493 1.786 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.956 HG13 ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER 165.72 -161.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.554 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 48.4 t -118.42 163.33 16.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.003 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.426 ' CZ ' HD12 ' A' ' 61' ' ' LEU . 4.2 mtt-85 -37.02 109.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.333 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.7 p -53.35 99.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.415 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 37.4 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.745 ' HB3' ' HA ' ' A' ' 73' ' ' ASN . . . -147.06 140.11 25.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.274 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.771 HG22 HD21 ' A' ' 76' ' ' LEU . 1.2 t -118.81 139.76 45.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.723 ' O ' HD22 ' A' ' 76' ' ' LEU . 3.8 t -127.92 133.18 49.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.46 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.4 OUTLIER -119.84 117.39 53.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.403 ' HG ' ' HA ' ' A' ' 77' ' ' GLU . 1.3 pp -103.22 109.65 21.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.927 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -82.74 131.43 54.68 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.5 Cg_endo -74.95 -8.08 19.79 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.807 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 20' ' ' ARG . 47.0 p-10 -79.63 4.29 16.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.64 15.92 47.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.927 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 4.5 mtt-85 -114.9 114.35 25.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 0.778 . . . . 0.0 110.336 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.32 116.23 31.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 110.261 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.46 ' O ' ' O ' ' A' ' 14' ' ' VAL . 3.4 p80 -138.99 138.42 37.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.607 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 30.5 p -118.72 131.4 56.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.62 ' O ' ' O ' ' A' ' 12' ' ' VAL . 54.0 t -120.47 135.84 59.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.75 139.38 37.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.63 HG13 ' HB ' ' A' ' 12' ' ' VAL . 16.2 m -136.71 168.45 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.128 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.931 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -102.67 154.19 37.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.931 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.4 Cg_endo -75.01 -12.17 21.48 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 p -113.86 -6.32 13.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.027 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.462 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.9 m -88.81 140.33 29.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.153 . . . . 0.0 110.374 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.749 HG12 ' CG ' ' A' ' 64' ' ' GLN . 3.3 m -77.36 141.95 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.871 HD13 HD12 ' A' ' 59' ' ' LEU . 23.5 mt -69.23 -21.44 63.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.521 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.9 pp -61.54 -41.84 97.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.69 -40.6 84.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.319 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -72.1 -45.65 61.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.472 HD23 ' SG ' ' A' ' 40' ' ' CYS . 6.5 tt -60.86 -46.76 89.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 7.7 mm-40 -63.75 -41.11 98.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.543 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.7 OUTLIER -63.33 -54.22 40.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.576 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 75.7 m -59.33 -34.72 72.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.382 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.551 ' O ' ' CA ' ' A' ' 44' ' ' ASP . 8.9 m -68.07 -36.42 79.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 108.275 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.796 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.55 -48.41 67.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.796 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -75.18 -37.39 61.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.549 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 1.2 pt20 -95.97 11.23 34.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.551 ' CA ' ' O ' ' A' ' 40' ' ' CYS . 4.1 p-10 34.22 68.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.756 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -127.15 159.42 34.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.434 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 2.9 m120 -122.29 142.5 37.07 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 50' ' ' TYR . 18.3 Cg_endo -74.96 -35.23 3.3 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.494 ' C ' ' O ' ' A' ' 81' ' ' VAL . 8.9 t -65.07 -8.55 16.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.002 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.661 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 5.1 mt-10 -123.86 -1.14 8.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.756 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 14.8 m-85 -143.42 139.48 29.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.629 ' N ' ' O ' ' A' ' 79' ' ' VAL . 8.9 m-20 -131.32 147.46 52.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.78 ' O ' ' N ' ' A' ' 59' ' ' LEU . 2.9 mp -121.61 134.1 55.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -147.67 141.56 25.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.466 ' HB3' ' CD2' ' A' ' 59' ' ' LEU . 2.1 t80 -131.09 113.7 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 59.14 -107.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -110.74 14.87 22.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.421 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 4.6 m -120.4 123.96 44.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.418 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.409 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 3.7 m -82.94 140.47 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.871 HD12 HD13 ' A' ' 32' ' ' LEU . 2.5 mm? -115.36 117.77 31.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.678 ' CB ' HD23 ' A' ' 63' ' ' LEU . 9.1 t0 -141.83 -145.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.0 mt -90.06 -38.23 13.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.801 ' C ' HD22 ' A' ' 63' ' ' LEU . 91.8 p -89.68 40.79 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.054 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.801 HD22 ' C ' ' A' ' 62' ' ' SER . 3.1 mm? -131.85 101.21 5.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.749 ' CG ' HG12 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -93.98 145.25 24.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.264 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.666 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.2 t90 -63.18 -39.88 95.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 108.014 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -58.78 -14.87 9.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -115.34 -66.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.563 ' C ' ' ND2' ' A' ' 69' ' ' ASN . . . -52.37 -20.7 2.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.64 ' C ' HD13 ' A' ' 70' ' ' LEU . 1.8 p30 42.32 92.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.64 HD13 ' C ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER -100.47 165.66 13.99 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.589 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -75.02 172.42 16.4 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.6 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -46.2 -78.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.745 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 1.4 m-20 -64.26 -2.75 2.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 11' ' ' ALA . . . 22.33 87.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 1.034 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -94.88 120.14 34.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.034 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -117.35 151.71 36.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 1.9 mt-10 -102.21 132.67 47.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.579 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -91.04 137.07 32.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 110.968 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.629 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.3 m -146.05 138.95 14.14 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.844 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -75.01 133.05 16.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.918 HG22 ' H ' ' A' ' 82' ' ' SER . 5.6 p 161.97 -162.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.918 ' H ' HG22 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -130.25 102.82 6.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' A' ' 82' ' ' SER . 2.1 mpt_? 58.83 147.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.45 88.78 7.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.928 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.573 ' OG ' ' CZ2' ' A' ' 65' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.763 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.18 142.31 27.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.889 ' CG1' HD21 ' A' ' 76' ' ' LEU . 4.7 t -119.46 145.37 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.565 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 40.3 t -134.17 134.38 42.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.032 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.456 ' CG1' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -119.89 117.71 54.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pp -103.08 109.7 21.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 1.064 ' HB1' ' OD1' ' A' ' 18' ' ' ASN . . . -83.78 131.52 51.66 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.43 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.97 -8.44 20.1 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.781 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 1.064 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 1.4 p-10 -79.98 6.78 10.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.87 16.02 55.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.891 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 2.4 mtt180 -112.84 114.22 26.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 110.354 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -110.46 116.02 30.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.431 ' O ' ' O ' ' A' ' 14' ' ' VAL . 32.9 p-80 -139.13 138.22 36.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.604 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.565 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 5.3 t -118.89 133.86 55.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.372 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.635 ' O ' ' O ' ' A' ' 12' ' ' VAL . 77.0 t -120.55 132.87 69.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.418 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -97.24 107.84 20.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.679 HG22 HG21 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -118.77 168.44 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.15 154.28 72.26 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.372 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.663 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -75.06 -12.21 21.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.2 p -106.78 1.36 24.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.976 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.563 HG23 ' HG2' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -88.8 140.1 29.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.386 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.611 HG12 ' CG ' ' A' ' 64' ' ' GLN . 6.8 m -77.5 130.43 36.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.586 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -57.04 -21.44 31.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.258 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.504 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.1 pp -63.44 -44.6 94.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.599 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.84 -38.63 83.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.599 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.35 -48.7 46.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.62 HD23 ' CD2' ' A' ' 61' ' ' LEU . 8.5 tp -60.86 -42.25 97.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 5.8 mm-40 -67.06 -38.73 86.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.565 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 6.5 m-20 -65.7 -54.42 27.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.56 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 12.6 t -64.13 -34.07 77.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.436 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.563 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 16.1 m -67.96 -36.55 80.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.323 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.566 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -66.37 -48.83 68.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.566 ' N ' ' CG ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -74.98 -37.3 61.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.563 ' HG2' ' HA ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -94.32 13.19 24.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 43' ' ' GLN . 2.8 p-10 31.81 69.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.779 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 0.9 OUTLIER -129.18 159.27 36.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.433 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 3.2 t30 -123.91 143.57 42.57 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.904 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.0 -34.91 3.46 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.548 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 13.2 t -64.9 -8.53 15.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.619 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 4.9 mm-40 -123.82 -2.36 8.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.779 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 12.7 m-85 -144.84 139.54 27.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.625 ' HB2' HG12 ' A' ' 81' ' ' VAL . 6.7 m-20 -131.31 147.36 52.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.815 ' O ' ' N ' ' A' ' 59' ' ' LEU . 1.5 mp -121.87 133.85 54.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 57' ' ' THR . 17.6 ttpt -149.13 142.42 25.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.594 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -128.4 113.81 16.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.435 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 15.9 mm-40 65.69 -110.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.8 mtm-85 -110.57 14.82 22.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 110.337 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.424 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 2.8 m -119.58 127.1 52.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.383 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.7 m -87.0 140.46 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.815 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -117.15 123.32 46.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.257 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.617 ' CB ' HD23 ' A' ' 63' ' ' LEU . 3.0 t0 -138.93 -147.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.904 HD11 ' HG3' ' A' ' 47' ' ' PRO . 78.9 mt -90.23 -39.42 12.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.464 ' O ' HD13 ' A' ' 63' ' ' LEU . 79.4 p -87.73 39.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.056 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.617 HD23 ' CB ' ' A' ' 60' ' ' ASP . 2.0 mm? -131.3 105.55 7.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.611 ' CG ' HG12 ' A' ' 31' ' ' VAL . 2.4 mp0 -91.65 141.38 28.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.251 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.78 ' HZ3' HG22 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -61.04 -41.1 95.94 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.557 ' HG3' ' CD1' ' A' ' 67' ' ' PHE . 15.6 ptm180 -64.72 -7.89 12.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.557 ' CD1' ' HG3' ' A' ' 66' ' ' ARG . 7.2 m-30 -114.37 -59.13 2.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.11 -9.06 54.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.1 p30 41.08 89.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.566 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 0.1 OUTLIER -85.99 159.83 53.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.563 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.1 Cg_endo -75.02 172.47 16.3 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.469 1.773 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.628 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -42.3 -85.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.763 ' C ' ' O ' ' A' ' 11' ' ' ALA . 1.4 t-20 -63.0 -1.83 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.565 ' HB3' ' HA ' ' A' ' 12' ' ' VAL . . . 29.24 76.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 1.024 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -92.85 117.05 29.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.024 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -113.89 153.92 28.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -101.51 128.72 47.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.559 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -85.41 136.02 33.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.619 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.6 m -145.31 141.21 16.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.874 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.97 133.07 16.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.951 HG22 ' H ' ' A' ' 82' ' ' SER . 5.8 p 160.3 -159.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.347 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.951 ' H ' HG22 ' A' ' 81' ' ' VAL . 22.7 t -125.5 -173.09 2.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.49 -52.88 58.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 m -144.98 135.97 24.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.039 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.586 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 2.5 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.722 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -146.38 147.87 31.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.028 HG22 HD21 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -118.57 131.72 70.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.855 ' O ' HD22 ' A' ' 76' ' ' LEU . 9.2 t -119.86 130.36 54.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.179 . . . . 0.0 109.992 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.592 HG13 ' HB2' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -119.61 117.32 53.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.894 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -105.86 124.15 49.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.796 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -86.83 136.37 34.48 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.99 -8.18 19.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.541 1.811 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 20' ' ' ARG . 47.3 p30 -79.64 2.24 23.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.67 15.61 39.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.796 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 33.6 mtt-85 -115.9 114.3 24.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -110.3 125.95 53.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.097 . . . . 0.0 110.277 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.559 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 11.7 p-80 -139.13 136.56 35.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 0.0 109.607 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.528 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 4.6 t -118.76 125.66 50.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.728 ' O ' ' O ' ' A' ' 12' ' ' VAL . 50.4 t -120.46 123.47 70.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.85 114.41 21.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.541 HG22 ' HB ' ' A' ' 12' ' ' VAL . 3.5 m -118.42 168.48 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.51 154.15 48.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.377 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.655 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.4 Cg_endo -74.96 -12.37 21.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.487 1.783 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.0 p -107.84 -5.94 16.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.429 HG23 ' HG2' ' A' ' 34' ' ' GLN . 2.3 m -88.8 140.04 29.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.358 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.955 HG13 ' HG3' ' A' ' 64' ' ' GLN . 6.5 t -77.41 135.5 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.986 HD12 ' O ' ' A' ' 63' ' ' LEU . 5.3 mt -60.55 -21.28 62.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.712 HD23 HG11 ' A' ' 31' ' ' VAL . 1.1 pp -62.47 -45.34 93.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.653 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -67.38 -37.77 83.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.648 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -72.37 -50.16 37.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 13.8 tp -61.29 -39.45 90.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 5.4 mm-40 -66.0 -43.55 87.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.569 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 1.2 m-20 -63.28 -54.3 39.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.655 HG22 ' CD ' ' A' ' 43' ' ' GLN . 97.8 m -61.3 -34.55 75.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 44' ' ' ASP . 15.4 m -68.28 -36.71 79.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 108.252 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.566 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.88 -48.93 64.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.578 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -74.91 -37.35 62.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.655 ' CD ' HG22 ' A' ' 39' ' ' THR . 1.6 pt20 -90.69 2.22 56.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 40' ' ' CYS . 2.3 p-10 43.4 66.69 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.795 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.3 m-85 -128.44 159.19 36.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.46 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -123.53 143.77 42.44 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.646 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.0 -35.53 3.08 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.455 1.766 . . . . 0.0 110.972 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.51 ' C ' ' O ' ' A' ' 81' ' ' VAL . 45.1 t -65.41 -8.38 18.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.621 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 7.4 mt-10 -123.69 -1.39 8.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.795 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 14.3 m-85 -144.93 139.42 27.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.747 ' C ' HD13 ' A' ' 52' ' ' LEU . 7.5 m-20 -131.34 147.51 52.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.763 ' O ' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -121.71 134.34 54.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 57' ' ' THR . 1.9 tmmm? -146.69 142.7 28.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.483 ' O ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -134.28 113.74 12.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.464 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 2.8 mm-40 60.18 -109.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -110.6 14.81 22.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.41 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 1.3 m -120.4 127.34 52.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.409 ' C ' HD22 ' A' ' 59' ' ' LEU . 4.0 m -84.66 140.44 16.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.896 HD11 HD21 ' A' ' 70' ' ' LEU . 4.3 mm? -114.9 118.32 33.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.691 ' CB ' HD23 ' A' ' 63' ' ' LEU . 7.7 t0 -145.05 -148.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.646 HD11 ' CG ' ' A' ' 47' ' ' PRO . 5.1 mt -90.27 -39.27 12.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.788 ' C ' HD22 ' A' ' 63' ' ' LEU . 87.8 p -86.66 38.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.019 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.986 ' O ' HD12 ' A' ' 32' ' ' LEU . 3.2 mm? -134.05 106.28 7.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.955 ' HG3' HG13 ' A' ' 31' ' ' VAL . 11.8 mp0 -93.98 144.36 25.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.655 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.4 t90 -63.43 -40.65 97.74 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -56.76 -15.09 4.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -114.49 -57.81 2.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.561 ' O ' ' ND2' ' A' ' 69' ' ' ASN . . . -60.14 -15.5 24.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.561 ' ND2' ' O ' ' A' ' 68' ' ' ALA . 0.6 OUTLIER 37.45 82.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.896 HD21 HD11 ' A' ' 59' ' ' LEU . 8.8 mt -86.59 161.43 48.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.617 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -75.01 172.53 16.19 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.672 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -37.59 -88.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.722 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -64.12 -1.78 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.669 ' HB3' HG23 ' A' ' 12' ' ' VAL . . . 26.58 86.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 1.039 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -88.4 127.62 35.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.039 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -121.99 153.88 37.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.571 ' HA ' HD13 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -102.85 130.71 49.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.678 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -87.88 134.56 33.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.633 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.5 m -146.13 136.15 11.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.872 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.97 133.01 16.12 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.945 HG22 ' H ' ' A' ' 82' ' ' SER . 6.3 p 160.02 -155.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.245 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.945 ' H ' HG22 ' A' ' 81' ' ' VAL . 72.8 p -126.53 176.15 7.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.433 ' HA ' ' OD2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -47.23 -59.22 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 75.4 m -131.0 135.56 47.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.476 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 57.8 m . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.73 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -142.67 149.43 38.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.724 ' CG2' HD11 ' A' ' 76' ' ' LEU . 0.6 OUTLIER -118.76 138.93 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.655 ' O ' ' N ' ' A' ' 76' ' ' LEU . 9.2 t -125.47 129.32 49.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.869 HG11 HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -119.75 117.22 53.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.851 HD22 ' C ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -107.55 120.97 43.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.765 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -84.57 135.42 40.83 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -75.01 -8.27 19.91 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.508 1.794 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.448 ' OD1' ' HB2' ' A' ' 20' ' ' ARG . 42.8 p30 -79.68 0.91 28.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.62 15.51 34.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.765 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 4.7 mmp_? -114.13 114.36 25.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.433 ' CG ' ' HB2' ' A' ' 15' ' ' LEU . 4.0 mtp180 -110.12 123.43 49.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.593 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 9.9 p-80 -139.18 136.28 34.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.58 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 4.0 t -118.71 125.56 49.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.675 ' O ' ' O ' ' A' ' 12' ' ' VAL . 60.3 t -120.31 123.39 70.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -83.7 107.69 16.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.532 HG22 ' HB ' ' A' ' 12' ' ' VAL . 3.8 m -106.7 167.06 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.923 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -92.07 153.93 43.3 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.923 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.4 Cg_endo -74.98 -12.46 21.57 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.445 1.761 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 p -112.97 -4.76 13.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.021 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.611 HG23 ' OE1' ' A' ' 34' ' ' GLN . 1.3 m -88.07 140.19 29.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.918 HG12 ' HG2' ' A' ' 64' ' ' GLN . 12.7 m -77.44 128.25 38.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.236 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.639 HD11 HD21 ' A' ' 70' ' ' LEU . 2.1 mt -57.08 -21.3 30.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.551 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.5 pp -62.1 -45.64 92.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.637 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.71 -37.95 82.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.637 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.8 OUTLIER -72.33 -50.17 37.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.655 HD23 HD23 ' A' ' 61' ' ' LEU . 16.6 tp -62.44 -37.7 86.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.551 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 6.8 mm-40 -65.89 -41.81 91.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.549 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 5.8 m-20 -64.5 -54.13 37.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.616 HG22 ' NE2' ' A' ' 43' ' ' GLN . 68.8 m -58.42 -35.56 72.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.419 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.515 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 18.9 m -68.24 -36.59 79.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 108.293 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.562 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 1.9 ptt180 -67.61 -48.64 66.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.574 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -74.93 -37.3 62.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.616 ' NE2' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -95.78 13.06 27.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.513 ' C ' ' O ' ' A' ' 43' ' ' GLN . 0.9 OUTLIER 31.77 69.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CG ' ' HG3' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -127.56 159.36 34.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.426 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 0.5 OUTLIER -122.91 141.72 36.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.895 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.02 -35.04 3.35 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.48 1.779 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 81' ' ' VAL . 1.7 p -64.77 -8.62 15.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.969 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.597 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 2.9 mt-10 -123.71 -2.55 8.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.355 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.574 ' CD1' ' CE ' ' A' ' 78' ' ' MET . 21.3 m-85 -144.73 139.43 27.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.653 ' N ' ' O ' ' A' ' 79' ' ' VAL . 2.8 m-20 -131.17 147.25 52.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.869 HD23 HG11 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -121.81 134.65 54.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 57' ' ' THR . 2.5 ttmm -148.8 137.33 21.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.91 ' HB2' HD23 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -115.86 113.71 23.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.451 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 5.7 mm-40 56.78 -103.06 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.72 14.9 22.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.542 ' O ' ' N ' ' A' ' 54' ' ' PHE . 5.9 m -117.35 133.76 55.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.379 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.621 ' C ' HD22 ' A' ' 59' ' ' LEU . 26.4 m -91.73 140.59 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.866 ' HG ' HD22 ' A' ' 76' ' ' LEU . 3.9 mm? -120.34 119.66 33.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.497 ' N ' HD12 ' A' ' 63' ' ' LEU . 3.4 t0 -141.83 -153.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.895 HD11 ' CG ' ' A' ' 47' ' ' PRO . 8.2 mt -90.24 -40.54 12.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.6 p -86.16 39.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 60' ' ' ASP . 23.7 mt -144.19 108.29 4.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.918 ' HG2' HG12 ' A' ' 31' ' ' VAL . 7.3 mp0 -90.94 154.4 19.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.653 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.0 OUTLIER -62.9 -42.86 99.93 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -18.29 9.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -105.39 -64.87 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.462 ' C ' ' ND2' ' A' ' 69' ' ' ASN . . . -56.69 -18.87 13.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.566 ' C ' HD13 ' A' ' 70' ' ' LEU . 5.2 p30 42.3 93.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.639 HD21 HD11 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -98.85 159.14 31.06 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.638 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -74.98 172.55 16.14 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.801 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.644 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -35.0 -90.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.73 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -64.79 -1.99 2.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.638 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 27.88 85.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -84.13 121.34 27.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.91 HD23 ' HB2' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -122.13 154.05 37.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.691 ' HA ' HD13 ' A' ' 15' ' ' LEU . 6.6 mt-10 -106.87 141.23 38.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.574 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -92.7 135.64 33.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 111.023 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.653 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.5 p -146.13 135.42 11.39 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.817 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.05 132.82 15.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.923 HG22 ' H ' ' A' ' 82' ' ' SER . 6.3 p 162.77 -156.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.923 ' H ' HG22 ' A' ' 81' ' ' VAL . 12.2 p -130.64 -173.36 3.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.994 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.3 mtp-105 -58.18 100.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.57 132.94 46.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.004 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.338 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.734 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.05 146.71 30.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.71 ' O ' ' O ' ' A' ' 24' ' ' VAL . 1.1 t -118.79 149.39 21.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.78 ' O ' HD22 ' A' ' 76' ' ' LEU . 31.4 t -137.49 134.08 35.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.039 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.73 117.45 53.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pp -101.59 109.59 21.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.884 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -81.71 131.47 57.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.96 -8.57 20.24 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.55 1.816 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.488 ' ND2' ' HB1' ' A' ' 16' ' ' ALA . 11.6 p30 -80.11 4.46 17.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.11 15.83 46.68 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.884 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -112.35 114.3 26.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -110.33 116.21 31.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 14' ' ' VAL . 19.4 p-80 -138.64 138.78 38.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.596 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.682 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 14.8 p -118.65 130.61 55.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.397 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.71 ' O ' ' O ' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -120.56 134.43 64.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -76.83 127.37 32.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.557 ' CG1' ' N ' ' A' ' 27' ' ' THR . 2.7 t -121.74 167.43 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.557 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -110.57 154.27 43.18 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.412 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.622 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.2 Cg_endo -74.98 -12.32 21.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.535 1.808 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.9 p -114.87 -3.49 12.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.3 m -88.81 139.18 30.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.746 HG12 ' CG ' ' A' ' 64' ' ' GLN . 12.5 m -77.66 127.46 38.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.114 HD11 HD21 ' A' ' 70' ' ' LEU . 7.2 mt -57.02 -21.36 30.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.518 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.3 pp -64.51 -44.64 90.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.654 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.81 -38.06 82.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.264 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.654 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.48 -49.81 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.77 HD22 ' CD2' ' A' ' 61' ' ' LEU . 6.1 tt -61.35 -42.75 99.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.8 mm-40 -65.64 -38.67 90.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.586 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -59.8 -54.23 48.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.641 HG22 ' O ' ' A' ' 36' ' ' LEU . 12.3 t -61.91 -34.41 76.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.559 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 8.5 m -67.94 -36.42 80.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 108.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.559 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -66.48 -48.8 68.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.586 ' CD ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -75.13 -37.37 61.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.563 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -95.13 11.25 32.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 40' ' ' CYS . 3.4 p-10 34.31 68.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.837 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -126.79 159.28 34.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 18.4 m120 -121.36 144.61 40.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.349 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.718 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -74.98 -36.52 2.51 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.516 ' C ' ' O ' ' A' ' 81' ' ' VAL . 10.2 t -63.21 -8.59 8.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.634 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 69.0 mt-10 -123.7 0.59 8.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.837 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 14.8 m-85 -146.97 139.45 24.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.614 ' HB2' HG12 ' A' ' 81' ' ' VAL . 7.0 m-20 -131.21 147.63 52.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.779 ' O ' ' N ' ' A' ' 59' ' ' LEU . 13.2 mt -121.58 133.9 55.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 4.0 ttpt -146.57 143.12 28.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.245 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.515 ' CE2' ' HD3' ' A' ' 71' ' ' PRO . 0.1 OUTLIER -129.38 113.84 15.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.426 ' CG ' ' N ' ' A' ' 56' ' ' ARG . 7.8 tt0 59.1 -106.89 0.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.426 ' N ' ' CG ' ' A' ' 55' ' ' GLN . 7.7 mmp_? -110.58 14.8 22.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.403 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 18.8 m -119.08 130.68 55.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.361 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.444 ' O ' HD13 ' A' ' 63' ' ' LEU . 33.3 m -88.96 140.48 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.779 ' N ' ' O ' ' A' ' 52' ' ' LEU . 4.0 mm? -116.87 119.68 36.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.418 ' OD2' ' HA ' ' A' ' 83' ' ' ARG . 10.1 t0 -141.38 -154.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.77 ' CD2' HD22 ' A' ' 36' ' ' LEU . 3.4 mt -90.18 -41.62 11.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.132 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.489 ' O ' HD23 ' A' ' 63' ' ' LEU . 80.8 p -84.2 39.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.608 ' O ' HD12 ' A' ' 32' ' ' LEU . 37.6 mt -144.72 108.9 4.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.746 ' CG ' HG12 ' A' ' 31' ' ' VAL . 20.0 mp0 -93.98 156.46 16.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.691 ' HA ' HD22 ' A' ' 70' ' ' LEU . 1.1 t90 -63.26 -43.76 97.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 107.989 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -15.22 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -112.19 -62.44 1.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.45 ' C ' ' ND2' ' A' ' 69' ' ' ASN . . . -60.9 -15.96 36.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.511 ' C ' HD13 ' A' ' 70' ' ' LEU . 4.5 p30 41.7 92.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.247 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.114 HD21 HD11 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -96.86 159.57 31.23 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.6 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 18.5 Cg_endo -74.97 172.38 16.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.782 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.681 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -40.37 -86.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.734 ' C ' ' O ' ' A' ' 11' ' ' ALA . 2.0 t30 -62.79 -1.86 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 71' ' ' PRO . . . 25.24 84.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.87 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -92.51 118.21 30.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.87 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -112.33 153.28 27.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 3.7 pt-20 -101.33 129.71 47.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.406 ' O ' ' HG3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -85.34 132.73 34.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.612 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.4 m -146.13 137.7 13.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.87 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.95 132.95 16.08 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.518 1.799 . . . . 0.0 111.034 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.93 HG22 ' H ' ' A' ' 82' ' ' SER . 6.2 p 159.9 -153.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.93 ' H ' HG22 ' A' ' 81' ' ' VAL . 23.8 p -129.44 174.91 9.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.664 ' NE ' HD12 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -49.05 137.02 13.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.7 80.9 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.291 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.719 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -146.54 140.13 25.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.006 HG12 HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -119.3 143.94 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.969 ' O ' HD22 ' A' ' 76' ' ' LEU . 29.5 t -129.85 136.99 50.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.487 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.77 117.54 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.743 HD21 ' CD ' ' A' ' 77' ' ' GLU . 1.3 pp -102.98 109.77 21.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.931 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -83.43 130.99 54.18 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.417 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.6 Cg_endo -74.94 -8.21 19.92 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.454 1.765 . . . . 0.0 111.06 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.526 ' ND2' ' HB1' ' A' ' 16' ' ' ALA . 10.2 p30 -79.8 4.47 16.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.79 15.85 47.68 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.931 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 1.8 mmt180 -114.34 114.49 25.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.275 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -110.11 115.82 30.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.487 ' O ' ' O ' ' A' ' 14' ' ' VAL . 13.7 p-80 -139.36 138.64 36.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.575 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.615 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 5.6 t -118.7 134.09 55.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.622 ' O ' ' O ' ' A' ' 12' ' ' VAL . 53.8 t -120.44 131.47 72.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.31 119.18 32.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.687 HG22 ' CG2' ' A' ' 12' ' ' VAL . 1.0 OUTLIER -128.71 168.42 21.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.719 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -82.94 154.11 67.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.719 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.3 Cg_endo -74.96 -12.29 21.6 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.8 p -106.43 -1.43 23.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.451 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.5 m -88.38 140.24 29.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.547 HG12 ' CG ' ' A' ' 64' ' ' GLN . 5.0 m -77.29 128.94 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.987 HD12 ' O ' ' A' ' 63' ' ' LEU . 4.8 mt -56.88 -21.44 29.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.525 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.7 pp -62.23 -44.45 96.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.64 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.75 -38.33 83.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 110.319 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.64 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.32 -48.41 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.657 HD23 ' SG ' ' A' ' 40' ' ' CYS . 6.2 tt -59.81 -46.57 88.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.1 mm-40 -63.85 -38.77 92.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.564 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 4.7 m-20 -63.1 -54.21 41.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.577 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 1.7 p -62.73 -34.37 77.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 110.428 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.657 ' SG ' HD23 ' A' ' 36' ' ' LEU . 14.0 m -67.7 -36.44 80.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 108.273 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.564 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.56 -48.9 65.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.577 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -75.05 -37.38 61.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.554 ' CG ' ' HB2' ' A' ' 45' ' ' PHE . 3.4 pt20 -93.88 7.92 43.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 40' ' ' CYS . 6.4 p-10 37.16 67.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.718 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 m-85 -127.64 159.31 35.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 3.3 m-80 -121.65 143.57 38.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.554 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.0 -34.63 3.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.503 ' C ' ' O ' ' A' ' 81' ' ' VAL . 42.1 t -65.98 -8.44 22.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.622 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.6 mm-40 -123.66 0.51 8.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.718 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 17.2 m-85 -147.46 139.36 24.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.656 ' N ' ' O ' ' A' ' 79' ' ' VAL . 5.2 m-20 -131.33 147.23 52.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.785 ' O ' ' N ' ' A' ' 59' ' ' LEU . 2.3 mp -121.82 136.59 54.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -148.68 137.05 21.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.549 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -124.08 113.8 18.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 110.985 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.453 ' CG ' ' N ' ' A' ' 56' ' ' ARG . 0.6 OUTLIER 58.84 -107.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.453 ' N ' ' CG ' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -110.61 14.82 22.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.521 ' HB ' ' CD2' ' A' ' 54' ' ' PHE . 12.0 m -120.28 125.88 49.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.356 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.563 ' C ' HD22 ' A' ' 59' ' ' LEU . 2.6 m -82.49 140.49 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 1.039 HD11 HD21 ' A' ' 70' ' ' LEU . 1.3 mm? -114.45 117.62 31.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.517 ' CB ' HD23 ' A' ' 63' ' ' LEU . 7.4 t0 -144.12 -149.41 0.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.554 HD11 ' CG ' ' A' ' 47' ' ' PRO . 3.2 mt -90.32 -38.76 13.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.507 ' O ' HD13 ' A' ' 63' ' ' LEU . 61.8 p -88.58 39.43 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.014 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.987 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.6 mm? -134.35 106.84 7.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.547 ' CG ' HG12 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -94.14 141.71 28.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.642 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.0 OUTLIER -63.33 -39.85 95.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 108.003 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.579 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 6.2 ptp180 -56.79 -21.9 32.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.579 ' CD2' ' HG3' ' A' ' 66' ' ' ARG . 23.1 m-85 -108.67 -54.65 2.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.16 -17.25 51.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 67' ' ' PHE . 5.3 p30 41.14 86.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.039 HD21 HD11 ' A' ' 59' ' ' LEU . 2.8 mp -88.29 161.98 41.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.593 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -75.03 172.34 16.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.45 1.763 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.613 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -42.57 -82.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.719 ' C ' ' O ' ' A' ' 11' ' ' ALA . 17.6 m-20 -65.57 -1.76 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.643 ' O ' ' HA ' ' A' ' 12' ' ' VAL . . . 25.76 86.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.877 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -93.43 118.87 31.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.006 HD21 HG12 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -112.08 152.0 28.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.743 ' CD ' HD21 ' A' ' 15' ' ' LEU . 3.1 mm-40 -104.41 126.63 51.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.64 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -85.35 135.01 34.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.656 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.7 p -146.02 138.55 13.82 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.879 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.5 Cg_endo -74.92 133.0 16.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.542 1.812 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.932 HG22 ' H ' ' A' ' 82' ' ' SER . 5.9 p 159.78 -154.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.932 ' H ' HG22 ' A' ' 81' ' ' VAL . 25.0 p -129.87 177.39 7.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.028 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -47.11 -49.48 21.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.5 t -156.98 78.85 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.032 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.562 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 71.5 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.739 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -145.76 145.69 30.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.807 HG22 HD21 ' A' ' 76' ' ' LEU . 1.2 t -120.43 142.95 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.724 ' O ' HD22 ' A' ' 76' ' ' LEU . 22.6 t -130.49 134.21 46.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.974 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.479 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.3 OUTLIER -119.7 117.4 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -102.59 109.53 21.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.918 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -83.35 132.09 51.02 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -7.56 19.28 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.622 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 4.8 p30 -79.17 6.13 10.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.15 15.85 55.01 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.918 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -116.22 114.31 24.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 0.739 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.1 116.41 31.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.479 ' O ' ' O ' ' A' ' 14' ' ' VAL . 1.6 p80 -138.79 138.32 37.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.558 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.606 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 2.8 t -118.68 134.37 55.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.561 ' O ' ' O ' ' A' ' 12' ' ' VAL . 60.7 t -120.57 132.31 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.14 118.64 24.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 m -123.17 168.41 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.347 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.59 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -91.77 154.14 43.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.363 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.692 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -75.0 -12.43 21.51 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.436 1.756 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 p -108.6 -3.68 17.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.972 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.685 HG23 ' HG2' ' A' ' 34' ' ' GLN . 2.0 m -88.73 139.74 30.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.761 HG13 ' CG ' ' A' ' 64' ' ' GLN . 10.6 t -77.9 132.06 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.558 ' O ' HG22 ' A' ' 35' ' ' VAL . 2.9 mm? -56.94 -21.25 28.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.747 HD23 HG11 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -63.1 -46.38 87.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.685 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.0 OUTLIER -66.18 -39.33 89.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.138 . . . . 0.0 110.29 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -72.07 -50.18 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.561 HD23 ' CD2' ' A' ' 61' ' ' LEU . 13.5 tp -61.35 -38.76 88.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 5.4 mm-40 -65.55 -42.53 91.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.542 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 6.2 m-20 -61.31 -54.16 47.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.78 HG22 ' CD ' ' A' ' 43' ' ' GLN . 47.2 m -62.45 -35.42 79.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 44' ' ' ASP . 16.5 m -68.28 -36.49 79.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 108.336 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.784 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.95 -48.68 65.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.784 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -75.09 -37.17 61.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.322 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.78 ' CD ' HG22 ' A' ' 39' ' ' THR . 1.6 pt20 -91.49 3.49 54.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 40' ' ' CYS . 0.7 OUTLIER 42.21 67.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.802 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.2 m-85 -128.25 159.4 35.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.932 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.418 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 3.5 m120 -122.25 145.05 43.22 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.891 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.04 -34.92 3.42 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.788 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.498 ' C ' ' O ' ' A' ' 81' ' ' VAL . 7.9 t -65.89 -8.46 22.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.028 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.625 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 21.9 mt-10 -123.58 -0.21 8.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.802 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 23.8 m-85 -146.03 139.36 26.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.668 ' N ' ' O ' ' A' ' 79' ' ' VAL . 5.0 m-20 -131.39 147.58 52.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.798 ' O ' ' N ' ' A' ' 59' ' ' LEU . 8.9 mt -121.59 134.56 55.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 57' ' ' THR . 29.2 ttpt -148.83 143.26 26.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.58 ' CZ ' ' HG3' ' A' ' 71' ' ' PRO . 1.0 OUTLIER -128.47 113.85 16.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 111.009 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.55 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 5.4 mm-40 58.42 -105.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 69.0 mtt85 -110.57 14.61 22.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 54' ' ' PHE . 6.0 m -118.45 132.24 56.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.392 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.427 ' O ' HD13 ' A' ' 63' ' ' LEU . 35.8 m -89.91 140.56 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.798 ' N ' ' O ' ' A' ' 52' ' ' LEU . 3.3 mm? -117.36 119.45 35.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -142.2 -155.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.891 HD11 ' HG3' ' A' ' 47' ' ' PRO . 56.8 mt -90.2 -39.61 12.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.455 ' O ' HD23 ' A' ' 63' ' ' LEU . 96.4 p -84.6 38.6 0.7 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 109.941 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 62' ' ' SER . 32.5 mt -144.77 110.55 5.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.761 ' CG ' HG13 ' A' ' 31' ' ' VAL . 2.2 mt-30 -92.87 153.73 18.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.692 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 0.7 OUTLIER -63.45 -40.06 96.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 108.004 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.461 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 10.2 ptm180 -56.09 -27.98 55.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.256 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.461 ' CD2' ' HG3' ' A' ' 66' ' ' ARG . 26.0 m-85 -102.1 -60.62 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.943 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -56.43 -17.4 7.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 68' ' ' ALA . 5.6 p30 42.84 94.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.501 HD11 HD11 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -101.19 160.27 27.12 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.641 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -75.02 172.46 16.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.535 1.808 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.599 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -42.1 -82.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.739 ' C ' ' O ' ' A' ' 11' ' ' ALA . 76.2 m-20 -65.26 -1.71 2.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.641 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 27.56 86.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.945 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -92.05 119.07 31.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.945 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -116.29 150.06 38.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 2.4 pt-20 -101.35 132.79 46.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.279 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.85 132.9 34.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.668 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -145.99 134.9 11.12 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.845 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.03 133.03 16.06 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.464 1.771 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.932 HG22 ' H ' ' A' ' 82' ' ' SER . 6.2 p 161.76 -155.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.932 ' H ' HG22 ' A' ' 81' ' ' VAL . 3.9 p -129.45 165.61 21.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.014 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -42.48 143.19 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.9 p -73.84 168.07 20.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.694 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.31 140.06 24.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.974 ' CG1' HD21 ' A' ' 76' ' ' LEU . 16.6 t -119.0 142.76 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.698 ' O ' HD22 ' A' ' 76' ' ' LEU . 7.3 t -137.4 127.18 25.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.565 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.48 117.24 53.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.924 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -108.43 120.44 42.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.711 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -87.37 135.72 34.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.112 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.508 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.05 -8.51 20.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.799 . . . . 0.0 110.955 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.557 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 30.1 p-10 -80.0 0.0 33.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.05 15.99 31.69 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.711 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 11.9 mmt180 -112.22 114.2 26.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 0.721 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.665 ' NH2' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -110.55 123.19 49.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.565 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 9.6 p-80 -139.16 136.79 35.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.624 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.493 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 5.4 t -118.87 126.74 52.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.432 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.768 ' O ' ' O ' ' A' ' 12' ' ' VAL . 82.2 t -120.58 138.01 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -103.3 115.52 30.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.356 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.628 HG22 HG21 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -129.15 168.42 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.653 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -84.16 154.58 63.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.376 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.653 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.6 Cg_endo -74.94 -12.43 21.64 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.547 1.814 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 p -104.15 -2.0 26.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.408 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.9 m -88.72 140.41 29.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.428 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.619 HG12 ' CG ' ' A' ' 64' ' ' GLN . 10.7 m -77.08 128.84 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.959 HD13 HD12 ' A' ' 59' ' ' LEU . 14.8 mt -56.79 -21.34 27.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.524 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.8 pp -63.42 -45.54 90.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.587 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.85 -38.2 82.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.587 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.8 OUTLIER -72.15 -50.03 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.55 HD23 HD23 ' A' ' 61' ' ' LEU . 12.8 tp -60.79 -37.6 82.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.8 mm-40 -66.03 -43.23 88.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.523 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 9.7 m-20 -63.17 -54.14 42.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.55 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 25.5 p -59.24 -37.91 78.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.518 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 17.4 m -68.24 -36.61 79.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 108.313 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.555 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -66.41 -48.79 68.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.555 ' N ' ' CG ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -73.4 -37.12 66.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 110.304 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.541 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 1.7 pt20 -95.46 13.21 26.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.5 ' C ' ' O ' ' A' ' 43' ' ' GLN . 4.0 p-10 33.15 70.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.696 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -128.29 159.24 35.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.055 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.416 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 3.5 t30 -123.46 143.01 40.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.805 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.05 -35.87 2.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.563 1.822 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.599 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 8.0 t -62.24 -8.69 6.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.57 ' C ' ' O ' ' A' ' 81' ' ' VAL . 2.8 mm-40 -123.82 -6.42 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.696 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 15.9 m-85 -140.03 139.26 35.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.674 ' N ' ' O ' ' A' ' 79' ' ' VAL . 0.8 OUTLIER -131.54 147.51 52.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.362 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.803 ' O ' ' N ' ' A' ' 59' ' ' LEU . 8.8 mt -121.57 133.8 55.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -147.19 139.4 24.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.629 ' CE1' ' NE2' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -126.03 113.68 17.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.629 ' NE2' ' CE1' ' A' ' 54' ' ' PHE . 32.9 mt-30 57.96 -106.4 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.76 14.89 22.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.455 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 1.4 m -120.6 122.29 40.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.365 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.412 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 3.8 m -82.2 140.43 16.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.959 HD12 HD13 ' A' ' 32' ' ' LEU . 3.3 mm? -115.98 119.79 37.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.544 ' CB ' HD23 ' A' ' 63' ' ' LEU . 4.9 t70 -145.28 -152.71 0.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.805 HD11 ' HG3' ' A' ' 47' ' ' PRO . 96.1 mt -90.19 -19.23 24.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.853 ' C ' HD22 ' A' ' 63' ' ' LEU . 83.4 p -105.31 39.93 1.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 110.056 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.853 HD22 ' C ' ' A' ' 62' ' ' SER . 3.3 mm? -138.19 106.09 5.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.619 ' CG ' HG12 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -94.22 141.81 28.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.277 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.747 ' HZ3' HG22 ' A' ' 12' ' ' VAL . 1.2 t90 -63.4 -41.26 98.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 107.984 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -58.13 -14.97 7.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.255 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.436 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 19.8 m-85 -116.88 -60.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -59.14 -14.52 10.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 67' ' ' PHE . 4.7 p30 42.33 92.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.577 HD21 HD11 ' A' ' 32' ' ' LEU . 1.7 mp -91.87 164.48 23.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.576 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -75.03 172.13 16.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.599 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -47.27 -78.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.694 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -65.16 -1.89 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.726 ' HB2' ' CH2' ' A' ' 65' ' ' TRP . . . 31.86 83.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 1.049 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -96.03 123.71 39.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.049 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -121.5 153.86 37.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.596 ' HA ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -103.09 132.81 49.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.508 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -86.87 132.01 33.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.674 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.2 p -146.12 134.55 10.85 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.084 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.993 ' O ' HG13 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.04 132.98 15.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.776 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.993 HG13 ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER 163.02 -161.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.599 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 15.2 m -114.26 164.95 13.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.428 ' O ' ' CB ' ' A' ' 84' ' ' SER . 3.2 ptt85 -37.72 109.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 83' ' ' ARG . 0.1 OUTLIER 80.19 -63.15 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.033 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.557 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 55.2 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.739 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.09 143.1 28.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.8 ' O ' ' O ' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -118.76 131.51 71.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.718 ' O ' HD22 ' A' ' 76' ' ' LEU . 10.0 t -121.74 129.42 52.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.612 HG11 HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -119.5 117.21 53.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.883 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -106.84 124.14 49.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -89.31 136.66 29.79 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.05 -8.25 19.85 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.508 ' OD1' ' CB ' ' A' ' 16' ' ' ALA . 25.4 p30 -79.79 0.65 29.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.91 16.04 34.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.11 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.654 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -112.03 114.28 27.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 110.308 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.4 121.25 44.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.577 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 12.5 p-80 -139.21 135.97 34.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.629 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 3.3 t -118.76 124.91 48.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.8 ' O ' ' O ' ' A' ' 12' ' ' VAL . 58.5 t -120.44 127.34 75.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -77.37 132.41 38.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.552 HG22 ' HB ' ' A' ' 12' ' ' VAL . 5.0 m -132.38 168.5 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.523 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -103.13 154.53 37.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 110.373 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.687 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.5 Cg_endo -74.99 -12.25 21.53 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.481 1.78 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.4 p -112.03 -5.84 14.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.028 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 m -88.76 140.37 29.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 110.365 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.961 HG12 ' HG2' ' A' ' 64' ' ' GLN . 17.4 m -77.2 129.32 37.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.92 HD11 HD21 ' A' ' 70' ' ' LEU . 8.6 mt -59.99 -21.39 61.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.538 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.9 pp -62.41 -44.09 97.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.628 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.74 -38.33 83.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.628 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.39 -48.72 46.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.493 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 9.9 tp -62.08 -40.87 97.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.6 mm-40 -64.8 -42.04 95.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.539 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 19.3 m-20 -63.81 -54.24 38.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.584 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 89.6 m -58.48 -34.48 70.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.418 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.558 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 14.5 m -68.11 -36.52 79.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 108.278 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.558 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.78 -48.79 65.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.584 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -74.83 -37.44 62.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.313 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.575 ' CG ' ' HB2' ' A' ' 45' ' ' PHE . 2.5 pt20 -93.88 8.02 42.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 110.34 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 40' ' ' CYS . 3.4 p-10 37.08 67.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.575 ' HB2' ' CG ' ' A' ' 43' ' ' GLN . 1.1 m-85 -126.88 159.3 34.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 111.03 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.434 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 7.0 m-20 -122.99 141.77 36.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.728 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.1 Cg_endo -75.09 -35.83 2.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.493 1.786 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.574 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 5.6 t -64.24 -8.54 12.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.596 ' C ' ' H ' ' A' ' 81' ' ' VAL . 2.0 mm-40 -123.98 -3.54 8.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.653 ' CD1' ' CE ' ' A' ' 78' ' ' MET . 22.5 m-85 -142.07 139.55 32.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.624 ' N ' ' O ' ' A' ' 79' ' ' VAL . 18.5 m-20 -131.36 147.58 52.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.8 ' O ' ' N ' ' A' ' 59' ' ' LEU . 9.3 mt -121.55 133.83 55.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 57' ' ' THR . 21.5 ttpt -149.0 143.13 25.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 57' ' ' THR . 0.4 OUTLIER -127.63 113.84 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.99 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.493 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 19.5 tt0 58.45 -105.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.493 ' N ' ' HG2' ' A' ' 55' ' ' GLN . 62.0 mtt85 -110.6 14.8 22.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 54' ' ' PHE . 5.3 m -118.54 130.54 55.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.382 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.466 ' O ' HD13 ' A' ' 63' ' ' LEU . 29.8 m -90.13 140.59 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.8 ' N ' ' O ' ' A' ' 52' ' ' LEU . 3.3 mm? -118.28 119.15 33.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.4 ' N ' HD12 ' A' ' 63' ' ' LEU . 3.4 t70 -142.71 -153.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.728 HD11 ' CG ' ' A' ' 47' ' ' PRO . 4.1 mt -90.19 -41.43 11.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.455 ' O ' HD23 ' A' ' 63' ' ' LEU . 75.1 p -83.73 38.32 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.022 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.466 HD13 ' O ' ' A' ' 58' ' ' VAL . 22.8 mt -145.84 107.31 4.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.961 ' HG2' HG12 ' A' ' 31' ' ' VAL . 24.8 mp0 -92.94 157.63 16.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.687 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.1 t90 -63.51 -40.47 97.14 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.425 ' HD2' ' CE2' ' A' ' 67' ' ' PHE . 4.1 ptp85 -56.14 -16.17 4.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.313 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.425 ' CE2' ' HD2' ' A' ' 66' ' ' ARG . 28.2 m-85 -115.06 -60.51 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.445 ' C ' ' ND2' ' A' ' 69' ' ' ASN . . . -57.03 -18.36 13.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.544 ' C ' HD13 ' A' ' 70' ' ' LEU . 5.3 p30 41.73 92.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.92 HD21 HD11 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -100.3 157.97 32.83 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.648 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -75.03 172.52 16.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.471 1.774 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.668 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -35.42 -90.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.739 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -64.13 -1.91 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.648 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 28.61 89.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.988 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -90.17 120.1 31.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.988 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -115.69 153.12 31.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 0.0 109.265 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.608 ' HA ' HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -102.07 130.27 48.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.653 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -88.02 132.3 34.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.624 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.8 p -146.19 136.95 12.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 1.018 ' O ' HG13 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -74.95 133.0 16.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.471 1.774 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 1.018 HG13 ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER 162.81 -163.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.574 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 65.7 p -108.03 173.29 6.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 82' ' ' SER . 11.7 mtp85 -34.89 -38.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 87.0 p -162.31 145.19 11.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.77 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.27 141.62 26.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.034 HG12 HD21 ' A' ' 76' ' ' LEU . 2.5 t -119.0 140.51 42.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.758 ' O ' HD22 ' A' ' 76' ' ' LEU . 8.1 t -133.81 128.44 34.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.971 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.478 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -119.78 117.45 53.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.345 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.84 HD22 ' C ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -107.01 119.99 40.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -86.35 136.11 35.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.152 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.483 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.0 -8.57 20.19 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.507 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 29.3 p30 -80.1 1.05 29.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.65 16.13 34.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.631 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -110.3 114.2 27.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.46 119.2 38.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.478 ' O ' ' O ' ' A' ' 14' ' ' VAL . 11.5 p-80 -139.27 138.28 36.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.571 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 5.6 t -118.83 127.64 53.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.384 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.733 ' O ' ' O ' ' A' ' 12' ' ' VAL . 89.0 t -120.41 132.38 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -97.72 114.39 26.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.922 HG22 HG21 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -124.14 168.35 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.497 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -84.33 154.44 62.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.43 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.654 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -74.94 -12.31 21.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.781 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 p -105.32 -4.42 21.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.562 HG23 ' HG2' ' A' ' 34' ' ' GLN . 4.6 m -88.77 140.43 29.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.919 HG13 ' HG3' ' A' ' 64' ' ' GLN . 11.7 t -77.21 137.26 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.89 HD11 HD21 ' A' ' 70' ' ' LEU . 1.6 mt -62.98 -21.43 66.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.906 HD23 HG11 ' A' ' 31' ' ' VAL . 1.4 pp -62.52 -43.37 98.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.562 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.0 OUTLIER -67.84 -39.54 83.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -72.21 -49.84 40.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.549 HD23 ' CD2' ' A' ' 61' ' ' LEU . 28.3 tp -59.0 -41.27 87.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 7.3 mm-40 -65.85 -44.28 85.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.57 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -61.75 -54.24 45.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 35' ' ' VAL . 74.4 p -62.6 -35.06 78.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.385 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 44' ' ' ASP . 16.5 m -68.15 -36.62 79.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 108.321 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.564 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -65.49 -48.72 71.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.57 ' CD ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -74.9 -37.04 62.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.538 ' CG ' ' HB2' ' A' ' 45' ' ' PHE . 1.1 pt20 -91.66 6.31 46.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 40' ' ' CYS . 0.7 OUTLIER 38.95 68.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.784 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 m-85 -129.92 159.22 37.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.435 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 2.8 m-20 -121.86 143.02 37.5 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.771 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.5 Cg_endo -75.0 -35.63 3.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.567 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 10.8 t -64.45 -8.6 14.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.602 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 45.3 mm-40 -123.89 -2.49 8.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.784 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 19.4 m-85 -142.52 139.63 31.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.655 ' O ' HD13 ' A' ' 52' ' ' LEU . 1.0 OUTLIER -131.32 147.74 52.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.782 ' O ' ' N ' ' A' ' 59' ' ' LEU . 0.4 OUTLIER -121.5 133.92 55.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 57' ' ' THR . 0.7 OUTLIER -147.68 142.97 27.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.528 ' CD2' ' HB ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -129.76 113.64 14.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 55.45 -104.7 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.284 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.8 14.96 22.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.272 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.528 ' HB ' ' CD2' ' A' ' 54' ' ' PHE . 4.5 m -120.19 122.01 40.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.414 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.473 ' O ' HD13 ' A' ' 63' ' ' LEU . 34.6 m -84.37 140.65 15.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.807 HD12 HD13 ' A' ' 32' ' ' LEU . 2.2 mm? -116.13 118.6 33.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.439 ' N ' HD12 ' A' ' 63' ' ' LEU . 11.2 t0 -140.44 -154.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.771 HD11 ' CG ' ' A' ' 47' ' ' PRO . 16.8 mt -90.43 -42.77 10.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.4 p -85.09 40.68 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.029 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.588 ' O ' HD12 ' A' ' 32' ' ' LEU . 40.4 mt -143.52 105.23 4.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.919 ' HG3' HG13 ' A' ' 31' ' ' VAL . 5.4 mp0 -88.11 150.91 23.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.846 ' HZ3' HG22 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -63.44 -40.34 96.9 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.15 -17.21 6.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -110.12 -62.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -56.94 -17.5 9.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 69' ' ' ASN . 8.4 p-10 42.21 93.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.89 HD21 HD11 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -92.36 159.1 37.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.617 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.5 Cg_endo -74.95 172.46 16.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.521 1.8 . . . . 0.0 111.029 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.634 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -35.93 -91.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.77 ' C ' ' O ' ' A' ' 11' ' ' ALA . 16.1 m-20 -62.74 -1.93 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.664 ' HB2' ' CH2' ' A' ' 65' ' ' TRP . . . 30.72 86.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 1.009 ' C ' HD13 ' A' ' 76' ' ' LEU . 4.2 pttt -95.44 121.18 36.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.034 HD21 HG12 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -117.86 154.1 32.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.653 ' HA ' HD13 ' A' ' 15' ' ' LEU . 2.6 pt-20 -101.73 135.19 43.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.68 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -89.62 133.71 34.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.652 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.4 p -146.09 136.22 11.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.979 ' O ' HG13 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.97 133.02 16.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.979 HG13 ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER 164.28 -163.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.567 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 61.5 p -121.47 168.14 12.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -47.34 106.1 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.6 p 41.85 90.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.985 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.564 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 74.3 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.735 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -142.37 152.67 43.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.817 HG22 HD21 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -118.65 140.43 42.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.663 ' O ' ' N ' ' A' ' 76' ' ' LEU . 12.1 t -130.54 129.16 42.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.034 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.573 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -119.47 117.32 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.902 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -106.25 119.27 38.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -85.2 134.5 40.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.4 Cg_endo -74.97 -8.4 20.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.501 ' ND2' ' HB1' ' A' ' 16' ' ' ALA . 12.7 p30 -80.08 1.81 26.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.3 15.81 36.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.775 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 12.8 mmt-85 -112.84 114.3 26.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.407 ' HG2' ' HB2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -110.34 121.93 46.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.573 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 12.1 p-80 -139.24 136.79 35.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.612 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 4.9 t -118.81 125.58 49.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.385 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.719 ' O ' ' O ' ' A' ' 12' ' ' VAL . 87.1 t -120.56 127.43 75.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 17.6 pttp -81.95 113.26 19.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.597 HG13 ' HB ' ' A' ' 12' ' ' VAL . 2.5 m -114.19 168.39 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.931 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -99.59 154.06 37.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.421 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.931 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.4 Cg_endo -74.96 -12.35 21.59 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 p -111.5 -2.53 15.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.021 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.581 HG23 ' HG2' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -88.8 140.22 29.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.422 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.931 HG12 ' HG2' ' A' ' 64' ' ' GLN . 4.2 m -77.11 128.6 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.558 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -56.86 -21.43 29.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.2 pp -63.2 -43.46 98.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.368 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.581 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.0 OUTLIER -67.79 -39.89 83.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -72.06 -49.9 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.593 HD23 ' SG ' ' A' ' 40' ' ' CYS . 4.9 tt -58.79 -44.88 90.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.3 mm-40 -67.2 -42.16 84.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.278 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.602 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -61.5 -54.46 42.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.546 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 2.8 t -60.82 -34.39 74.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 110.407 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.613 ' O ' ' N ' ' A' ' 44' ' ' ASP . 8.8 m -68.3 -36.56 79.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 108.309 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.567 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -64.71 -48.74 73.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.602 ' CD ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -72.74 -36.26 67.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.559 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 1.4 pt20 -98.55 13.36 32.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.613 ' N ' ' O ' ' A' ' 40' ' ' CYS . 7.6 p-10 32.66 69.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.689 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 0.9 OUTLIER -127.59 159.47 34.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.2 m-20 -121.19 143.42 37.2 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.489 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -75.0 -35.7 2.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.455 1.766 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.497 ' C ' ' O ' ' A' ' 81' ' ' VAL . 10.2 t -64.47 -8.53 13.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.628 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 16.9 mt-10 -123.48 -2.52 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.689 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 22.9 m-85 -143.62 139.26 29.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.665 ' HB2' HG12 ' A' ' 81' ' ' VAL . 3.9 m-20 -131.4 147.65 52.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.807 ' O ' ' N ' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -121.43 133.84 55.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 57' ' ' THR . 0.5 OUTLIER -149.02 143.15 25.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 57' ' ' THR . 0.9 OUTLIER -124.47 113.64 18.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.429 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 10.6 tt0 56.97 -103.44 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.429 ' N ' ' HG2' ' A' ' 55' ' ' GLN . 9.6 mtt180 -110.64 14.53 22.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.529 ' O ' ' N ' ' A' ' 54' ' ' PHE . 16.7 m -117.16 135.84 53.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.445 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.551 ' C ' HD22 ' A' ' 59' ' ' LEU . 35.4 m -94.5 140.71 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.807 ' N ' ' O ' ' A' ' 52' ' ' LEU . 4.3 mm? -119.59 118.0 29.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.468 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.3 t0 -140.68 -152.6 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.489 HD11 ' CG ' ' A' ' 47' ' ' PRO . 1.2 mt -90.16 -42.53 11.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.441 ' O ' HD23 ' A' ' 63' ' ' LEU . 52.8 p -84.91 40.28 0.8 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.997 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.471 ' CD1' HG23 ' A' ' 58' ' ' VAL . 33.7 mt -144.35 98.79 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.931 ' HG2' HG12 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -85.78 155.69 20.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.704 ' HA ' HD22 ' A' ' 70' ' ' LEU . 1.3 t90 -63.41 -42.64 98.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 107.989 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -56.11 -15.99 4.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -111.62 -62.11 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -60.99 -14.8 25.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 69' ' ' ASN . 8.0 p-10 41.65 92.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.704 HD22 ' HA ' ' A' ' 65' ' ' TRP . 0.3 OUTLIER -95.08 157.4 36.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.674 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.99 172.49 16.27 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.648 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -38.99 -85.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.735 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.9 OUTLIER -64.32 -1.89 1.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.674 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 28.36 82.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 1.002 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -88.66 123.41 33.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.002 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -118.13 154.12 32.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.652 ' HA ' HD13 ' A' ' 15' ' ' LEU . 2.3 mt-10 -102.77 133.01 48.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.429 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -86.19 130.58 34.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 110.994 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.664 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -146.17 132.06 9.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.817 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.03 132.96 15.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.452 1.764 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.926 HG22 ' H ' ' A' ' 82' ' ' SER . 6.3 p 163.26 -155.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.926 ' H ' HG22 ' A' ' 81' ' ' VAL . 2.5 p -130.5 -172.24 2.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.71 137.83 58.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.2 t -70.52 156.37 39.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.983 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.493 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 26.3 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.734 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -146.95 144.85 29.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.732 HG22 HD21 ' A' ' 76' ' ' LEU . 1.2 t -118.88 144.92 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.823 ' O ' HD22 ' A' ' 76' ' ' LEU . 7.3 t -130.58 136.86 49.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.03 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.549 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.4 OUTLIER -119.83 117.5 53.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.642 HD21 ' OE1' ' A' ' 77' ' ' GLU . 1.3 pp -103.53 109.66 21.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.894 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -82.81 130.87 56.28 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.07 -8.07 19.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.53 1.805 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.507 ' C ' ' OD1' ' A' ' 18' ' ' ASN . 35.8 p30 -79.58 2.46 22.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.1 15.8 40.55 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.025 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.894 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -113.72 114.29 26.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 110.325 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -110.39 116.11 30.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.549 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 12.6 p-80 -139.11 138.67 37.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.563 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.594 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 3.5 t -118.74 132.08 56.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.372 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.608 ' O ' ' O ' ' A' ' 12' ' ' VAL . 79.2 t -120.44 126.39 75.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -83.75 118.09 23.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 m -122.11 168.45 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.713 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -90.45 154.25 46.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.713 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.2 Cg_endo -74.98 -12.38 21.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.433 1.754 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.3 p -109.81 -1.49 17.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.982 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.517 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.3 m -88.75 140.09 29.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.401 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.875 HG12 ' HG2' ' A' ' 64' ' ' GLN . 3.4 m -77.4 129.71 37.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.55 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -57.42 -21.31 35.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.537 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.6 pp -63.06 -45.45 92.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.71 -39.02 84.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -72.08 -50.26 38.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 14.1 tp -61.71 -41.55 97.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.537 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 13.0 mm-40 -67.14 -38.15 85.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.571 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 1.5 m-20 -66.74 -54.25 24.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.574 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 5.2 t -62.72 -34.5 77.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.368 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.586 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 20.1 m -68.33 -36.65 79.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 108.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.564 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -66.34 -48.75 69.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.574 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -73.74 -36.46 65.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.586 ' HG2' ' HA ' ' A' ' 40' ' ' CYS . 2.7 pt20 -93.75 13.13 23.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.486 ' C ' ' O ' ' A' ' 43' ' ' GLN . 4.2 p-10 33.75 69.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.703 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -130.06 159.23 37.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.977 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.43 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.6 m120 -124.47 145.22 48.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.17 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.661 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -74.97 -35.92 2.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.581 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 13.3 t -64.55 -8.57 14.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.966 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.592 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.5 mt-10 -124.0 -2.57 8.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.703 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 23.4 m-85 -143.39 139.5 30.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.894 ' C ' HD13 ' A' ' 52' ' ' LEU . 1.2 m-20 -131.27 147.41 52.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.894 HD13 ' C ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -121.6 136.1 54.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 57' ' ' THR . 1.1 tmmm? -148.7 137.42 21.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -127.94 113.76 16.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.944 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 38.1 tt0 60.65 -109.08 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.422 ' N ' ' HG2' ' A' ' 55' ' ' GLN . 7.7 mtp180 -110.73 14.89 22.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.403 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 3.1 m -120.55 127.83 52.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.441 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.529 ' C ' HD22 ' A' ' 59' ' ' LEU . 4.2 m -81.79 140.32 16.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.963 HD11 HD21 ' A' ' 70' ' ' LEU . 3.8 mm? -115.37 118.33 32.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.736 ' HB3' HD23 ' A' ' 63' ' ' LEU . 1.4 t70 -145.76 -147.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.661 HD11 ' HG3' ' A' ' 47' ' ' PRO . 9.5 mt -90.25 -40.24 12.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.88 ' C ' HD22 ' A' ' 63' ' ' LEU . 39.9 p -88.19 41.44 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.033 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.88 HD22 ' C ' ' A' ' 62' ' ' SER . 2.9 mm? -135.63 93.58 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.875 ' HG2' HG12 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -84.39 145.01 28.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.246 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.698 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.0 OUTLIER -63.51 -40.35 96.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 107.96 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.466 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 3.5 ptt180 -56.62 -17.19 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.466 ' CD2' ' HG3' ' A' ' 66' ' ' ARG . 23.0 m-85 -115.98 -60.97 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -55.64 -17.74 6.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 68' ' ' ALA . 5.7 p30 42.82 94.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.963 HD21 HD11 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -99.14 160.65 27.1 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.61 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -75.0 172.43 16.38 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.789 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.588 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -40.59 -85.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.734 ' C ' ' O ' ' A' ' 11' ' ' ALA . 1.0 OUTLIER -64.46 -1.71 1.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.61 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 27.01 83.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.981 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -90.68 120.54 31.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.981 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -115.61 152.37 33.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.642 ' OE1' HD21 ' A' ' 15' ' ' LEU . 1.8 mt-10 -101.41 133.0 46.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.55 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -90.69 134.02 34.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.732 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.3 p -146.1 134.72 10.96 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.8 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.1 Cg_endo -75.07 133.04 16.01 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.466 1.772 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.929 HG22 ' H ' ' A' ' 82' ' ' SER . 6.2 p 165.15 -166.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.929 ' H ' HG22 ' A' ' 81' ' ' VAL . 8.1 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.022 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.418 ' OG ' ' HD3' ' A' ' 28' ' ' PRO . 95.6 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.73 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.26 146.99 29.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.791 HG22 HD11 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -118.74 137.1 53.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.143 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.528 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 4.7 t -120.61 135.31 55.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.491 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.82 117.44 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -104.02 109.7 21.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.897 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -80.82 131.7 59.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.405 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.06 -8.01 19.62 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 20' ' ' ARG . 50.6 p30 -79.64 2.74 21.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.74 15.87 41.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.897 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -114.61 114.49 25.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 110.273 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -110.23 116.15 30.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.491 ' O ' ' O ' ' A' ' 14' ' ' VAL . 11.9 p-80 -139.13 138.84 37.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.587 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.528 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 3.5 t -118.02 131.7 56.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 110.389 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.62 ' O ' ' O ' ' A' ' 12' ' ' VAL . 73.3 t -120.33 126.81 75.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -86.6 121.19 28.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.6 m -125.17 168.52 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.752 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -86.52 154.23 56.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.752 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.3 Cg_endo -75.02 -12.45 21.47 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.487 1.783 . . . . 0.0 110.956 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.3 p -108.57 -4.74 16.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.969 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.823 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.4 m -87.83 139.63 30.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.423 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.928 HG11 HD23 ' A' ' 33' ' ' LEU . 17.1 t -77.98 133.33 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 63' ' ' LEU . 1.1 mt -56.93 -21.28 28.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.928 HD23 HG11 ' A' ' 31' ' ' VAL . 1.2 pp -62.88 -44.84 95.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.823 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.0 OUTLIER -67.23 -39.27 86.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.287 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -72.06 -49.48 43.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.754 HD22 ' CD2' ' A' ' 61' ' ' LEU . 4.0 tt -60.93 -41.67 96.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 12.2 mm-40 -63.51 -43.23 97.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.591 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 4.6 m-20 -60.92 -54.16 48.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.565 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 44.9 m -62.72 -34.58 77.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.408 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 44' ' ' ASP . 10.5 m -68.34 -36.56 79.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 108.301 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.564 ' HG2' ' N ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -67.4 -48.88 66.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.591 ' CD ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -75.21 -37.37 61.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.258 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.567 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 2.4 pt20 -92.38 5.92 48.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 40' ' ' CYS . 5.2 p-10 39.83 67.16 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.817 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 m-85 -127.35 159.4 34.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.463 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -121.17 144.22 39.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.634 ' CB ' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.02 -36.26 2.64 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.529 ' C ' ' O ' ' A' ' 81' ' ' VAL . 10.9 t -65.29 -8.68 19.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.619 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 2.5 mm-40 -123.7 1.46 8.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.817 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 18.3 m-85 -146.0 139.47 26.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.625 ' N ' ' O ' ' A' ' 79' ' ' VAL . 6.5 m-20 -131.32 147.24 52.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.782 ' O ' ' N ' ' A' ' 59' ' ' LEU . 1.3 mm? -121.86 136.29 54.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 11.1 ttpt -148.85 139.59 22.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.356 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.835 ' HB2' HD23 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -122.94 113.79 19.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.475 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 34.1 tt0 56.56 -104.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.475 ' N ' ' HG2' ' A' ' 55' ' ' GLN . 8.3 mtp180 -110.8 14.34 22.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.554 ' O ' ' N ' ' A' ' 54' ' ' PHE . 3.4 m -117.93 132.03 56.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.448 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.434 ' O ' HD13 ' A' ' 63' ' ' LEU . 27.4 m -90.31 140.57 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.823 ' HG ' HD22 ' A' ' 76' ' ' LEU . 4.1 mm? -117.36 118.17 31.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.415 ' N ' HD12 ' A' ' 63' ' ' LEU . 8.1 t0 -138.18 -153.61 0.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.754 ' CD2' HD22 ' A' ' 36' ' ' LEU . 5.1 mt -90.31 -42.38 10.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.4 p -85.91 40.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.74 ' O ' HD12 ' A' ' 32' ' ' LEU . 44.0 mt -143.21 110.85 5.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.892 ' HG3' HG13 ' A' ' 31' ' ' VAL . 13.7 mp0 -94.13 156.14 16.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.669 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 0.7 OUTLIER -63.37 -38.71 92.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 107.995 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.514 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 17.0 ptt180 -56.12 -27.99 56.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.514 ' CD2' ' HG3' ' A' ' 66' ' ' ARG . 30.5 m-85 -100.9 -55.65 2.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -59.26 -19.94 50.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.46 ' O ' ' O ' ' A' ' 68' ' ' ALA . 5.3 p30 40.79 93.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.703 HD21 HD11 ' A' ' 59' ' ' LEU . 5.9 mt -104.93 158.14 32.67 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.691 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -75.01 172.6 16.04 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.497 1.788 . . . . 0.0 111.021 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.627 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -35.84 -90.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.73 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -63.88 -1.93 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 71' ' ' PRO . . . 24.35 88.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.439 ' HA ' ' HB3' ' A' ' 13' ' ' SER . 0.0 OUTLIER -85.94 122.18 29.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.835 HD23 ' HB2' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -122.1 153.82 38.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -103.98 144.31 31.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.503 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -99.23 134.47 42.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.625 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.5 p -145.88 136.03 11.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.842 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.98 133.1 16.21 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.954 HG22 ' H ' ' A' ' 82' ' ' SER . 6.6 p 162.04 -154.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.954 ' H ' HG22 ' A' ' 81' ' ' VAL . 9.1 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.042 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.601 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 31.7 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.707 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.23 143.12 27.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.839 HG22 HD21 ' A' ' 76' ' ' LEU . 1.1 t -118.68 137.48 52.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.802 ' O ' HD22 ' A' ' 76' ' ' LEU . 19.5 t -123.76 135.84 54.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.527 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.92 117.47 53.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.472 HD21 ' OE2' ' A' ' 77' ' ' GLU . 1.4 pp -102.55 109.58 21.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.908 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -81.58 131.07 59.12 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.99 -8.14 19.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.43 ' OD1' ' C ' ' A' ' 18' ' ' ASN . 18.5 p30 -79.67 3.5 18.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.91 15.75 44.32 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.446 1.091 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.908 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 1.5 mmt180 -114.04 114.39 26.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.25 116.01 30.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.527 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 14.8 p-80 -139.19 138.6 37.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.581 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.578 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 0.5 OUTLIER -118.77 131.94 56.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.345 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.615 ' O ' ' O ' ' A' ' 12' ' ' VAL . 73.6 t -120.31 123.51 70.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.44 111.37 14.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.618 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.0 m -112.22 168.42 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.925 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -96.23 154.28 38.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.363 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.925 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.3 Cg_endo -75.01 -12.72 21.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.778 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 p -110.91 -5.51 14.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.972 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.448 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.6 m -87.94 140.15 29.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.439 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.976 HG12 ' CG ' ' A' ' 64' ' ' GLN . 6.0 m -77.38 127.48 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.829 HD13 HD23 ' A' ' 59' ' ' LEU . 5.8 mt -56.91 -21.43 29.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.5 pp -64.08 -45.15 90.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.61 -38.96 84.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.562 HG13 ' O ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -72.03 -50.05 39.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.613 HD23 ' CD2' ' A' ' 61' ' ' LEU . 16.5 tp -60.01 -39.4 85.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 6.8 mm-40 -64.68 -44.03 91.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.523 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 5.3 m-20 -60.11 -54.18 48.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.584 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 64.0 m -62.11 -34.85 77.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.413 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.509 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 17.2 m -68.17 -36.62 79.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 108.327 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.565 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 2.6 ptt180 -68.02 -48.88 64.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.584 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.3 OUTLIER -74.93 -37.26 62.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.555 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 1.8 pt20 -90.76 3.47 54.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 40' ' ' CYS . 3.0 p-10 42.72 66.66 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.799 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.2 m-85 -128.02 159.28 35.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.5 m-20 -123.13 144.32 43.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.896 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -74.99 -35.26 3.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.524 ' C ' ' O ' ' A' ' 81' ' ' VAL . 30.0 t -66.47 -8.35 25.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.634 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.4 mm-40 -123.35 1.36 9.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.799 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 17.5 m-85 -146.65 139.17 25.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.67 ' N ' ' O ' ' A' ' 79' ' ' VAL . 4.0 m-20 -131.58 147.68 52.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.761 ' O ' ' N ' ' A' ' 59' ' ' LEU . 10.3 mt -121.47 133.92 55.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 57' ' ' THR . 3.7 tmmm? -147.89 138.73 23.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.43 ' CE1' ' HG3' ' A' ' 55' ' ' GLN . 4.1 t80 -124.71 113.7 18.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.43 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 9.7 mt-30 59.63 -107.3 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.351 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.2 mmp_? -110.88 14.98 22.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.451 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 2.7 m -120.96 120.95 36.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.658 ' O ' HD13 ' A' ' 63' ' ' LEU . 27.0 m -81.97 140.68 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.861 HD21 HD21 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -119.4 125.12 48.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.631 ' N ' HD12 ' A' ' 63' ' ' LEU . 1.8 t70 -142.07 -149.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.896 HD11 ' HG3' ' A' ' 47' ' ' PRO . 96.0 mt -90.21 -40.38 12.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.5 p -85.63 38.27 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.813 ' O ' HD12 ' A' ' 32' ' ' LEU . 31.6 mt -142.07 107.71 5.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.976 ' CG ' HG12 ' A' ' 31' ' ' VAL . 19.2 mp0 -93.99 157.26 16.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.698 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.2 t90 -63.36 -43.06 98.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 108.019 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -56.2 -15.89 4.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -111.53 -61.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -60.4 -17.73 45.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.459 ' O ' ' O ' ' A' ' 68' ' ' ALA . 8.1 p-10 42.5 95.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.861 HD21 HD21 ' A' ' 59' ' ' LEU . 5.8 mt -102.78 157.74 33.13 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.708 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -75.0 172.46 16.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.788 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.646 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -37.76 -87.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.707 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -63.69 -1.94 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 71' ' ' PRO . . . 22.33 90.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 1.03 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -93.42 121.0 34.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.03 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -116.82 153.21 32.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.472 ' OE2' HD21 ' A' ' 15' ' ' LEU . 2.6 mt-10 -101.93 132.76 47.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.489 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -88.89 135.43 33.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.953 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.67 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.1 m -146.06 135.99 11.82 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.852 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.99 132.99 16.06 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.526 1.803 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.949 HG22 ' H ' ' A' ' 82' ' ' SER . 6.8 p 160.79 -154.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.949 ' H ' HG22 ' A' ' 81' ' ' VAL . 10.1 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.506 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 1.8 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.685 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.23 141.91 26.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.783 HG22 HD21 ' A' ' 76' ' ' LEU . 1.2 t -118.75 143.76 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.794 ' O ' HD22 ' A' ' 76' ' ' LEU . 30.0 t -129.76 135.75 48.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.988 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.474 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.73 117.48 53.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.647 HD21 ' OE1' ' A' ' 77' ' ' GLU . 1.3 pp -103.79 109.78 21.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.91 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -82.54 130.82 57.27 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.05 -8.16 19.77 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.52 ' OD1' ' HB2' ' A' ' 20' ' ' ARG . 40.8 p30 -79.71 1.47 26.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.24 15.92 36.79 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.91 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 7.7 mmp_? -113.97 114.49 26.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.15 115.97 30.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.474 ' O ' ' O ' ' A' ' 14' ' ' VAL . 11.9 p-80 -139.26 138.68 36.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.562 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.579 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 4.7 t -118.79 132.71 56.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.372 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.585 ' O ' ' O ' ' A' ' 12' ' ' VAL . 53.6 t -120.61 128.63 76.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.234 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.99 116.73 23.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.414 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.5 m -119.49 168.41 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.682 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -92.24 154.22 43.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.46 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.706 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.2 Cg_endo -74.99 -12.7 21.53 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.487 1.783 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 p -111.03 -3.2 15.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -88.74 140.06 29.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.688 HG12 ' CG ' ' A' ' 64' ' ' GLN . 13.3 m -77.24 127.34 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.951 HD13 HD12 ' A' ' 59' ' ' LEU . 65.3 mt -56.93 -21.22 28.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.503 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.8 pp -63.02 -45.59 91.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.612 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.75 -37.84 82.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.612 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.3 -48.09 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.483 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 19.5 tp -62.78 -37.64 87.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 5.7 mm-40 -65.97 -43.46 87.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.489 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 1.4 m-20 -62.36 -53.98 47.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.561 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 6.2 m -59.84 -36.67 77.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.407 1.067 . . . . 0.0 110.412 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.509 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 16.5 m -68.21 -36.69 79.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 108.309 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.563 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -68.04 -48.96 64.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.107 . . . . 0.0 110.321 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.563 ' N ' ' CG ' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -74.99 -37.29 61.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.567 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 1.5 pt20 -90.77 3.22 54.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' CYS . 1.3 p30 42.68 66.2 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.795 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.2 m-85 -127.36 159.2 35.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.447 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 4.8 t30 -122.77 143.98 41.56 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 50' ' ' TYR . 18.3 Cg_endo -75.02 -35.86 2.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.514 ' C ' ' O ' ' A' ' 81' ' ' VAL . 47.7 t -65.39 -8.33 18.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.634 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 2.6 mm-40 -123.58 -0.09 8.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.27 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.795 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 15.0 m-85 -145.95 139.34 26.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.679 ' N ' ' O ' ' A' ' 79' ' ' VAL . 6.5 m-20 -131.42 147.58 52.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.741 ' O ' ' N ' ' A' ' 59' ' ' LEU . 4.5 mp -121.54 136.96 54.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 57' ' ' THR . 3.1 tmmm? -149.05 143.23 25.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.482 ' HB3' ' CD2' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -134.3 113.71 12.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.462 ' CG ' ' N ' ' A' ' 56' ' ' ARG . 3.7 tp60 58.95 -108.04 0.38 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.462 ' N ' ' CG ' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -110.72 14.93 22.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.137 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.406 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 3.0 m -120.57 126.62 50.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.406 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.4 ' HA ' ' HG2' ' A' ' 53' ' ' LYS . 4.3 m -83.79 140.36 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.951 HD12 HD13 ' A' ' 32' ' ' LEU . 4.3 mm? -113.55 117.14 30.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.699 ' HB3' HD23 ' A' ' 63' ' ' LEU . 3.4 t0 -144.36 -148.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.408 HD11 ' CG ' ' A' ' 47' ' ' PRO . 16.6 mt -90.1 -38.14 13.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.849 ' C ' HD22 ' A' ' 63' ' ' LEU . 38.9 p -88.7 39.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.849 HD22 ' C ' ' A' ' 62' ' ' SER . 3.0 mm? -135.95 102.2 4.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.688 ' CG ' HG12 ' A' ' 31' ' ' VAL . 22.5 mp0 -93.93 147.93 22.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.706 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.1 t90 -63.31 -42.99 99.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -57.28 -15.85 7.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -112.85 -63.58 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -58.54 -13.97 6.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.428 ' ND2' ' C ' ' A' ' 68' ' ' ALA . 5.3 p30 40.7 90.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.73 HD11 HD11 ' A' ' 59' ' ' LEU . 54.7 mt -95.47 161.26 28.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.649 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -75.03 172.45 16.34 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.59 1.837 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.581 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -45.34 -76.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.685 ' C ' ' O ' ' A' ' 11' ' ' ALA . 1.6 m-20 -68.13 -1.82 6.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.649 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 24.05 84.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 1.019 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -90.86 122.68 33.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.019 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -121.07 149.5 42.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.647 ' OE1' HD21 ' A' ' 15' ' ' LEU . 1.6 mt-10 -101.67 135.17 43.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.414 ' HE3' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -90.92 136.39 33.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.679 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -146.1 136.45 12.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.869 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.03 132.98 15.99 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.932 HG22 ' H ' ' A' ' 82' ' ' SER . 6.3 p 159.87 -153.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.932 ' H ' HG22 ' A' ' 81' ' ' VAL . 77.8 p . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.487 ' OG ' ' CZ2' ' A' ' 65' ' ' TRP . 1.4 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.783 ' HB3' ' HA ' ' A' ' 73' ' ' ASN . . . -147.12 140.96 25.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.731 HG22 HD21 ' A' ' 76' ' ' LEU . 1.2 t -118.82 132.32 69.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.825 ' O ' HD22 ' A' ' 76' ' ' LEU . 11.3 t -122.05 135.23 54.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.961 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.556 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.64 117.31 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.256 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 15' ' ' LEU . 1.4 pp -102.23 109.65 21.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 1.075 ' HB1' ' OD1' ' A' ' 18' ' ' ASN . . . -82.77 131.25 55.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.02 -8.33 19.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.791 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 1.075 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 1.1 p-10 -79.86 6.03 12.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.97 15.89 52.79 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.926 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 3.5 mmt-85 -113.7 114.44 26.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.774 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.3 115.98 30.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.556 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 9.1 p-80 -139.26 138.61 36.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.605 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.58 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 4.5 t -118.84 132.95 56.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.403 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.643 ' O ' ' O ' ' A' ' 12' ' ' VAL . 77.8 t -120.48 124.38 72.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.17 113.03 19.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.407 1.067 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.479 HG22 ' HB ' ' A' ' 12' ' ' VAL . 3.8 m -117.49 168.52 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.661 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -90.28 154.33 46.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.661 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.3 Cg_endo -74.98 -12.3 21.54 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.474 1.776 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 p -109.6 -2.33 17.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.027 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -87.56 140.38 29.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.409 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.942 HG12 ' HG2' ' A' ' 64' ' ' GLN . 11.9 m -77.08 126.94 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.731 HD13 HD12 ' A' ' 59' ' ' LEU . 4.2 mt -56.7 -21.45 27.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.524 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.3 pp -64.14 -44.06 93.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.654 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.89 -37.25 81.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.654 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.46 -50.22 36.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 13.5 tp -60.48 -39.52 87.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 5.2 mm-40 -65.43 -44.44 87.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.33 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.562 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 1.2 m-20 -59.85 -54.1 50.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.575 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 13.0 p -63.1 -35.23 79.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.391 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.526 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 15.4 m -68.14 -36.64 80.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.321 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.567 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -67.97 -48.8 64.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.575 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -75.12 -37.38 61.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.551 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 2.9 pt20 -91.43 4.51 52.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 40' ' ' CYS . 3.5 p-10 41.4 66.95 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.818 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.2 m-85 -127.77 159.35 35.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.439 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 2.2 m-20 -122.53 145.41 44.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.873 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.07 -35.13 3.27 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.543 1.812 . . . . 0.0 111.035 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.536 ' C ' ' O ' ' A' ' 81' ' ' VAL . 10.2 t -66.28 -8.4 24.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.636 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.6 mt-10 -123.56 0.68 8.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.818 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 18.7 m-85 -147.47 139.48 24.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.624 ' HB2' HG12 ' A' ' 81' ' ' VAL . 7.0 m-20 -131.33 147.7 52.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.79 ' O ' ' N ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -121.37 134.0 55.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 57' ' ' THR . 3.9 tmmm? -147.09 142.83 27.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.534 ' CE2' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -130.14 113.65 14.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 56.78 -105.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.88 14.84 22.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.433 ' HB ' ' CD2' ' A' ' 54' ' ' PHE . 5.8 m -120.46 123.01 41.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.41 ' O ' HD13 ' A' ' 63' ' ' LEU . 29.2 m -82.9 140.66 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.976 HD11 HD21 ' A' ' 70' ' ' LEU . 4.0 mm? -115.86 117.63 30.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.444 ' N ' HD12 ' A' ' 63' ' ' LEU . 7.7 t0 -139.17 -154.14 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.873 HD11 ' HG3' ' A' ' 47' ' ' PRO . 51.4 mt -90.25 -42.59 10.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.42 ' O ' HD23 ' A' ' 63' ' ' LEU . 88.1 p -85.02 39.57 0.77 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.71 ' O ' HD12 ' A' ' 32' ' ' LEU . 23.9 mt -144.55 109.12 4.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.942 ' HG2' HG12 ' A' ' 31' ' ' VAL . 14.4 mp0 -94.03 157.18 16.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.657 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 0.8 OUTLIER -63.34 -42.33 98.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 108.006 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 ptm85 -56.77 -15.97 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -111.64 -61.58 1.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.442 ' C ' ' ND2' ' A' ' 69' ' ' ASN . . . -56.78 -17.65 9.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.442 ' ND2' ' C ' ' A' ' 68' ' ' ALA . 5.2 p30 42.05 92.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.976 HD21 HD11 ' A' ' 59' ' ' LEU . 1.3 mt -103.88 162.48 19.81 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.614 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.98 172.37 16.5 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.575 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -43.42 -82.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.783 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 32.4 t-20 -61.84 -2.68 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 11' ' ' ALA . . . 23.23 89.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.913 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -94.26 116.1 28.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.913 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -111.75 150.45 30.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 3.8 pt-20 -101.53 133.38 46.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.246 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.454 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -90.31 128.03 36.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.593 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.8 m -139.86 137.18 18.04 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.858 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.01 132.95 15.98 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.926 HG22 ' H ' ' A' ' 82' ' ' SER . 7.9 p 160.3 -150.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.926 ' H ' HG22 ' A' ' 81' ' ' VAL . 56.9 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.506 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 4.3 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.76 ' HB3' ' HA ' ' A' ' 73' ' ' ASN . . . -147.24 140.19 25.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.007 ' CG1' HD21 ' A' ' 76' ' ' LEU . 2.7 t -119.22 143.28 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.734 ' O ' HD22 ' A' ' 76' ' ' LEU . 47.9 t -134.18 133.77 41.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.981 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.553 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.5 OUTLIER -119.92 117.52 53.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pp -103.02 109.75 21.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.922 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -83.29 130.74 55.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -74.95 -8.1 19.82 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.473 1.775 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 20' ' ' ARG . 45.8 p30 -79.55 4.31 16.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.78 15.75 48.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.922 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -114.38 114.29 25.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 110.323 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.35 116.18 30.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.553 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 20.7 p-80 -137.97 138.61 39.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.565 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 3.5 t -118.83 133.52 55.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.416 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.614 ' O ' ' O ' ' A' ' 12' ' ' VAL . 62.4 t -120.52 131.93 71.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.6 111.86 23.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.895 HG22 HG21 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -125.28 168.54 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.627 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -82.22 153.61 69.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.375 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.632 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.4 Cg_endo -75.0 -13.68 21.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.9 p -101.41 -3.02 29.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.77 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.8 m -88.68 139.95 29.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.955 HG11 HD23 ' A' ' 33' ' ' LEU . 13.0 t -77.45 132.97 31.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.616 HD11 HD11 ' A' ' 70' ' ' LEU . 1.8 mt -57.35 -21.4 35.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.955 HD23 HG11 ' A' ' 31' ' ' VAL . 1.6 pp -62.38 -44.81 95.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.77 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.0 OUTLIER -67.71 -40.74 84.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -72.26 -48.27 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.683 HD22 HD21 ' A' ' 61' ' ' LEU . 8.2 tt -58.7 -45.85 88.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 6.8 mm-40 -64.99 -38.31 90.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.592 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 4.8 m-20 -59.79 -54.27 48.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.641 HG23 ' OE1' ' A' ' 43' ' ' GLN . 5.3 t -66.11 -34.3 77.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.386 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.539 ' SG ' HD23 ' A' ' 36' ' ' LEU . 13.1 m -67.9 -36.53 80.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 108.331 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.569 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.38 -48.99 65.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.592 ' CD ' ' O ' ' A' ' 38' ' ' ASP . 0.3 OUTLIER -75.14 -37.46 61.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.641 ' OE1' HG23 ' A' ' 39' ' ' THR . 2.5 pt20 -91.37 4.06 53.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 40' ' ' CYS . 8.8 p-10 41.81 66.98 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.809 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.2 m-85 -127.65 159.29 35.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -121.1 145.39 41.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.849 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.03 -34.9 3.44 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.542 ' C ' ' O ' ' A' ' 81' ' ' VAL . 8.8 t -65.73 -8.4 20.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.613 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 18.4 mt-10 -123.05 -0.67 8.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.809 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 27.0 m-85 -146.83 139.35 24.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.678 ' HB2' HG12 ' A' ' 81' ' ' VAL . 6.6 m-20 -131.28 147.57 52.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.794 ' O ' ' N ' ' A' ' 59' ' ' LEU . 3.3 mp -121.68 133.9 54.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 57' ' ' THR . 2.2 ttpt -148.54 143.16 26.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.607 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -129.52 113.85 15.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.443 ' CG ' ' N ' ' A' ' 56' ' ' ARG . 5.5 tt0 60.09 -106.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.443 ' N ' ' CG ' ' A' ' 55' ' ' GLN . 3.1 mtm105 -110.64 14.81 22.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.5 ' HB ' ' CD2' ' A' ' 54' ' ' PHE . 8.7 m -118.78 128.19 54.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.481 ' O ' HD13 ' A' ' 63' ' ' LEU . 35.8 m -89.44 140.59 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.94 HD13 ' HB3' ' A' ' 76' ' ' LEU . 0.9 OUTLIER -116.03 120.04 37.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.416 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.0 t0 -139.66 -152.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.849 HD11 ' CG ' ' A' ' 47' ' ' PRO . 14.5 mt -90.34 -42.49 10.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 95.4 p -85.9 40.74 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.941 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.495 ' O ' HD12 ' A' ' 32' ' ' LEU . 34.7 mt -144.71 111.17 5.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.798 ' HG3' HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -93.67 157.16 16.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.864 ' CE3' HD12 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -63.43 -45.4 91.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 107.998 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -58.36 -14.17 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -103.67 -62.98 1.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -65.97 -11.7 49.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 65' ' ' TRP . 5.5 p-10 41.48 93.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.864 HD12 ' CE3' ' A' ' 65' ' ' TRP . 5.2 mt -95.39 161.19 28.74 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.686 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.96 172.46 16.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.771 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.619 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -40.71 -82.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.76 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 1.1 t-20 -65.13 -1.84 2.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.686 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 27.19 88.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.997 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -98.24 117.72 33.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.007 HD21 ' CG1' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -114.82 154.11 29.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -101.8 131.09 48.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.416 ' O ' ' HG3' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -85.9 134.77 33.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.612 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -146.1 136.05 11.85 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.838 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.97 132.89 15.97 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.924 HG22 ' H ' ' A' ' 82' ' ' SER . 8.8 p 161.17 -149.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.924 ' H ' HG22 ' A' ' 81' ' ' VAL . 51.8 p . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.571 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 60.8 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.747 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -146.5 144.2 29.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.962 HG22 HD21 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -118.72 131.52 71.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.891 ' O ' HD22 ' A' ' 76' ' ' LEU . 8.6 t -120.6 131.49 54.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.609 HG13 ' HB2' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -119.71 117.3 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.881 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -106.62 122.25 45.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -88.11 135.94 32.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.04 -8.58 20.16 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.406 ' OD1' ' C ' ' A' ' 18' ' ' ASN . 15.5 p30 -80.04 2.36 24.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.37 15.92 39.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.681 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 1.4 mtt180 -111.11 114.28 27.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 0.757 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.436 ' NE ' ' HB2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -110.38 119.99 40.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.537 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 10.2 p-80 -139.26 134.49 32.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.587 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 3.6 t -118.71 126.98 53.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.445 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.765 ' O ' ' O ' ' A' ' 12' ' ' VAL . 59.1 t -120.46 123.43 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.86 113.78 21.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.579 HG22 ' HB ' ' A' ' 12' ' ' VAL . 2.9 m -119.5 168.56 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.26 154.41 44.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.369 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.682 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.2 Cg_endo -75.05 -12.21 21.4 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 p -108.99 -2.91 17.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.528 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.5 m -88.7 140.23 29.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.425 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.927 HG12 ' HG2' ' A' ' 64' ' ' GLN . 5.2 m -77.28 128.82 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.527 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -56.81 -21.08 26.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.57 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.7 pp -63.51 -45.45 90.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.247 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.528 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.0 OUTLIER -67.67 -39.18 84.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -72.27 -49.87 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.511 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 11.2 tp -61.42 -43.05 99.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.57 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.6 mm-40 -61.63 -44.22 97.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.317 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.551 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -64.76 -54.28 33.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.576 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 89.1 m -57.19 -35.69 69.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.563 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 13.6 m -68.18 -36.52 79.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 108.307 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.561 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -67.33 -48.46 67.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.576 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -74.79 -37.34 62.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 110.306 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.578 ' CG ' ' HB2' ' A' ' 45' ' ' PHE . 5.6 pt20 -94.69 10.11 36.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 40' ' ' CYS . 1.7 p30 34.87 66.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.578 ' HB2' ' CG ' ' A' ' 43' ' ' GLN . 1.1 m-30 -126.41 159.28 33.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.439 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 0.8 OUTLIER -123.58 142.11 38.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.506 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.5 Cg_endo -74.93 -35.75 3.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.501 ' C ' ' O ' ' A' ' 81' ' ' VAL . 30.7 t -65.54 -8.43 19.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.973 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.605 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.8 mm-40 -123.6 -0.4 8.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.514 ' N ' ' O ' ' A' ' 81' ' ' VAL . 21.5 m-85 -146.94 139.38 24.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.683 ' N ' ' O ' ' A' ' 79' ' ' VAL . 5.2 m-20 -131.31 147.33 52.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.721 ' O ' ' N ' ' A' ' 59' ' ' LEU . 19.5 mt -121.69 137.21 54.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -148.68 143.16 26.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.46 ' CZ ' ' HG3' ' A' ' 71' ' ' PRO . 1.1 t80 -132.75 113.8 13.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 58.23 -107.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -110.56 14.85 22.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.6 m -119.92 133.07 55.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.515 ' C ' HD22 ' A' ' 59' ' ' LEU . 18.6 m -89.42 140.31 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.791 HD11 HD11 ' A' ' 70' ' ' LEU . 2.7 mm? -115.2 119.69 37.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.749 ' HB3' HD23 ' A' ' 63' ' ' LEU . 5.1 t0 -150.39 -149.43 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.506 HD11 ' CG ' ' A' ' 47' ' ' PRO . 0.8 OUTLIER -89.89 -42.25 11.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.77 ' C ' HD22 ' A' ' 63' ' ' LEU . 44.8 p -87.2 40.96 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.77 HD22 ' C ' ' A' ' 62' ' ' SER . 3.3 mm? -137.59 96.57 3.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.927 ' HG2' HG12 ' A' ' 31' ' ' VAL . 2.8 mp0 -82.83 147.0 28.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.682 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.4 t90 -63.34 -41.73 98.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 108.023 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -56.34 -16.05 4.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -112.32 -54.72 2.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -64.52 -17.47 63.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 69' ' ' ASN . 8.5 p-10 39.52 91.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.791 HD11 HD11 ' A' ' 59' ' ' LEU . 25.1 mt -98.41 159.93 29.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.643 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -74.98 172.51 16.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.781 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.638 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -35.05 -90.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.747 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -64.27 -1.96 1.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.643 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 28.63 92.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 1.024 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -90.41 124.62 35.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.024 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -118.23 151.73 37.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.541 ' HA ' HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -101.36 129.56 47.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.424 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -86.63 132.8 33.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.683 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.2 m -146.15 134.64 10.88 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.863 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.06 133.09 16.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.944 HG22 ' H ' ' A' ' 82' ' ' SER . 7.3 p 160.61 -152.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.944 ' H ' HG22 ' A' ' 81' ' ' VAL . 47.0 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.469 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 28.9 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.754 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -145.25 143.47 30.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.75 HG22 HD21 ' A' ' 76' ' ' LEU . 1.1 t -118.93 143.63 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.879 ' O ' HD22 ' A' ' 76' ' ' LEU . 39.8 t -127.36 137.63 52.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.484 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.5 OUTLIER -119.79 117.54 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -104.18 109.64 21.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.893 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -83.69 131.37 52.37 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 16' ' ' ALA . 18.3 Cg_endo -75.02 -8.07 19.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.799 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.494 ' ND2' ' HB1' ' A' ' 16' ' ' ALA . 10.8 p30 -79.71 4.36 16.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.87 15.87 47.32 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.893 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 3.8 mmt85 -113.99 114.37 26.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.757 . . . . 0.0 110.26 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.38 116.02 30.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.484 ' O ' ' O ' ' A' ' 14' ' ' VAL . 11.8 p-80 -139.23 138.36 36.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.596 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.593 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 5.0 t -118.75 132.48 56.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.632 ' O ' ' O ' ' A' ' 12' ' ' VAL . 60.2 t -120.55 128.72 76.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 7.8 pttt -84.34 115.49 22.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 m -114.01 168.47 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.639 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -92.71 154.2 42.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.356 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.676 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.2 Cg_endo -74.98 -12.3 21.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.537 1.809 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.0 p -112.3 -5.69 14.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.45 HG23 ' HG2' ' A' ' 34' ' ' GLN . 2.1 m -88.81 140.15 29.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.365 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.967 HG11 HD23 ' A' ' 33' ' ' LEU . 16.9 t -77.35 145.23 10.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.612 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -68.48 -21.35 64.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.967 HD23 HG11 ' A' ' 31' ' ' VAL . 1.8 pp -60.3 -43.66 96.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.616 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.78 -39.52 84.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.616 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.46 -48.52 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.693 HD23 ' SG ' ' A' ' 40' ' ' CYS . 5.5 tt -58.65 -46.44 87.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 3.7 mm-40 -66.79 -39.26 87.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.622 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -60.04 -54.37 46.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.686 HG23 ' NE2' ' A' ' 43' ' ' GLN . 9.6 t -65.92 -34.28 77.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.693 ' SG ' HD23 ' A' ' 36' ' ' LEU . 13.2 m -67.49 -36.35 80.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 108.273 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.725 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.14 -48.62 67.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.725 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -75.2 -37.37 61.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.686 ' NE2' HG23 ' A' ' 39' ' ' THR . 3.3 pt20 -93.2 7.55 43.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 40' ' ' CYS . 3.8 p-10 38.24 67.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.77 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 m-85 -127.45 159.39 34.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -122.82 145.21 44.81 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.535 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.0 -34.86 3.5 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.5 1.789 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.501 ' C ' ' O ' ' A' ' 81' ' ' VAL . 7.7 t -65.2 -8.41 17.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.592 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.5 mm-40 -123.58 -0.87 8.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.77 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 20.8 m-85 -146.47 139.27 25.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.678 ' HB2' HG12 ' A' ' 81' ' ' VAL . 3.7 m-20 -131.46 147.27 52.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.787 ' O ' ' N ' ' A' ' 59' ' ' LEU . 1.8 mp -121.79 134.77 54.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -148.99 143.15 25.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.533 ' CE1' ' HG3' ' A' ' 55' ' ' GLN . 0.4 OUTLIER -129.67 113.76 15.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.533 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 21.1 mm-40 58.89 -106.27 0.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.3 mtt-85 -110.71 14.8 22.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.6 m -118.55 135.38 54.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.417 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.59 ' C ' HD22 ' A' ' 59' ' ' LEU . 4.2 m -91.08 140.4 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.787 ' N ' ' O ' ' A' ' 52' ' ' LEU . 2.6 mm? -117.87 118.0 30.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.699 ' CB ' HD23 ' A' ' 63' ' ' LEU . 1.1 t70 -146.44 -146.81 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.535 HD11 ' CG ' ' A' ' 47' ' ' PRO . 1.6 mt -90.18 -39.74 12.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.803 ' C ' HD22 ' A' ' 63' ' ' LEU . 39.4 p -87.42 40.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.803 HD22 ' C ' ' A' ' 62' ' ' SER . 3.1 mm? -132.9 99.4 4.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.899 ' HG3' HG13 ' A' ' 31' ' ' VAL . 11.7 mp0 -90.21 144.52 25.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.691 ' HA ' HD22 ' A' ' 70' ' ' LEU . 1.3 t90 -63.28 -39.32 94.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 108.009 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -60.63 -12.41 10.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -116.42 -62.22 1.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -60.2 -16.23 31.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 69' ' ' ASN . 8.2 p-10 40.91 87.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.691 HD22 ' HA ' ' A' ' 65' ' ' TRP . 0.4 OUTLIER -87.56 158.56 51.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.608 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.97 172.46 16.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.511 1.795 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.619 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -36.97 -89.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.754 ' C ' ' O ' ' A' ' 11' ' ' ALA . 2.4 t30 -64.65 -1.82 2.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.608 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 27.98 85.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 1.011 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -89.95 123.49 33.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.011 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -117.74 152.18 35.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 1.8 pt-20 -101.39 131.16 47.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.84 133.15 34.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.612 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.7 p -145.98 137.13 12.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.846 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.01 132.85 15.87 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.929 HG22 ' H ' ' A' ' 82' ' ' SER . 5.9 p 161.39 -154.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.929 ' H ' HG22 ' A' ' 81' ' ' VAL . 58.6 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.403 ' OG ' ' HD3' ' A' ' 28' ' ' PRO . 20.9 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.75 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.11 142.66 27.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.945 HG12 HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -118.91 131.72 70.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.734 ' O ' ' N ' ' A' ' 76' ' ' LEU . 8.9 t -118.43 129.76 55.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.693 HG13 ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -119.77 117.1 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.697 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -107.04 123.64 48.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -87.63 136.67 32.67 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.488 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.98 -8.42 20.08 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.54 1.811 . . . . 0.0 111.055 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.535 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 32.4 p-10 -79.97 -0.05 33.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.36 15.8 31.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.635 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -111.32 114.17 27.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 110.301 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.44 118.09 35.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.597 ' O ' ' O ' ' A' ' 14' ' ' VAL . 8.7 p-80 -139.13 138.02 36.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.655 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.496 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 2.4 t -118.72 129.74 55.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.377 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.67 ' O ' ' O ' ' A' ' 12' ' ' VAL . 97.0 t -120.38 123.37 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.13 113.05 25.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.731 HG22 ' CG2' ' A' ' 12' ' ' VAL . 1.1 m -118.04 168.58 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.494 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -84.04 154.48 63.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.689 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -75.01 -12.29 21.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.8 p -109.91 -2.01 17.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 110.043 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.407 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.2 m -88.83 140.32 29.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.366 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.637 HG12 ' CG ' ' A' ' 64' ' ' GLN . 3.9 m -77.2 129.56 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.787 HD12 ' O ' ' A' ' 63' ' ' LEU . 6.6 mt -58.74 -21.31 54.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.535 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.7 pp -62.2 -45.91 91.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.513 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.51 -39.73 85.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -72.09 -48.92 47.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.037 HD22 HD21 ' A' ' 61' ' ' LEU . 7.8 tt -58.52 -44.84 89.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.535 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.5 mm-40 -66.72 -38.62 87.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.55 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -59.99 -54.24 48.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.591 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 5.0 t -60.84 -34.49 74.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.379 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.529 ' O ' ' N ' ' A' ' 44' ' ' ASP . 9.2 m -68.17 -36.63 79.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 108.293 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.703 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.91 -48.59 65.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.703 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -75.11 -37.32 61.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.248 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.557 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 3.1 pt20 -93.49 7.23 45.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 40' ' ' CYS . 1.3 p30 38.87 67.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.822 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 m-85 -127.65 159.36 34.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -118.93 141.0 29.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.7 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -75.0 -34.21 4.0 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.554 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 39.2 t -65.01 -8.54 16.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.573 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 63.6 mt-10 -123.77 -1.78 8.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.822 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 20.1 m-85 -141.71 139.43 32.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.621 ' CG ' HG23 ' A' ' 81' ' ' VAL . 19.9 m-20 -131.24 147.42 52.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.772 ' O ' ' N ' ' A' ' 59' ' ' LEU . 3.6 mp -121.64 136.03 54.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 57' ' ' THR . 26.2 ttpt -146.61 140.15 25.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.582 ' CZ ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -129.42 113.86 15.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.472 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 2.9 mt-30 59.6 -107.96 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.55 14.4 22.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.456 ' HB ' ' CD2' ' A' ' 54' ' ' PHE . 13.9 m -119.15 133.25 55.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.5 ' C ' HD22 ' A' ' 59' ' ' LEU . 13.8 m -88.63 140.46 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.995 ' HG ' HD22 ' A' ' 76' ' ' LEU . 2.9 mm? -113.71 117.8 32.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -147.62 -159.97 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.037 HD21 HD22 ' A' ' 36' ' ' LEU . 10.7 mt -90.27 10.6 24.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.739 ' C ' HD22 ' A' ' 63' ' ' LEU . 5.2 p -132.41 34.91 3.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.978 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.787 ' O ' HD12 ' A' ' 32' ' ' LEU . 2.8 mm? -142.6 110.56 5.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.637 ' CG ' HG12 ' A' ' 31' ' ' VAL . 1.1 mp0 -94.13 148.37 22.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.735 ' CE3' HD23 ' A' ' 70' ' ' LEU . 1.2 t-105 -63.34 -40.36 97.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 108.033 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -57.36 -16.49 9.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -113.2 -52.85 2.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.408 ' C ' ' OD1' ' A' ' 69' ' ' ASN . . . -64.82 -20.71 66.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.438 ' C ' HD13 ' A' ' 70' ' ' LEU . 8.8 p-10 40.65 88.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.735 HD23 ' CE3' ' A' ' 65' ' ' TRP . 0.2 OUTLIER -91.51 159.87 37.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.644 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.1 Cg_endo -75.05 172.49 16.27 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.64 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -32.76 -93.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.75 ' C ' ' O ' ' A' ' 11' ' ' ALA . 1.9 t30 -64.86 -1.95 2.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.671 ' HB1' ' HB3' ' A' ' 70' ' ' LEU . . . 30.23 86.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.58 125.04 29.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.995 HD22 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -122.13 153.57 38.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.584 ' HA ' HD13 ' A' ' 15' ' ' LEU . 2.5 pt-20 -106.7 135.89 47.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.257 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.488 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -93.77 132.53 38.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.975 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.571 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.6 p -146.12 133.99 10.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.956 ' O ' HG13 ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.92 133.12 16.32 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.493 1.786 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.956 HG13 ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER 165.72 -161.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.554 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 48.4 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.415 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 37.4 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.745 ' HB3' ' HA ' ' A' ' 73' ' ' ASN . . . -147.06 140.11 25.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.274 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.771 HG22 HD21 ' A' ' 76' ' ' LEU . 1.2 t -118.81 139.76 45.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.723 ' O ' HD22 ' A' ' 76' ' ' LEU . 3.8 t -127.92 133.18 49.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.554 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.4 OUTLIER -119.84 117.39 53.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.403 ' HG ' ' HA ' ' A' ' 77' ' ' GLU . 1.3 pp -103.22 109.65 21.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.927 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -82.74 131.43 54.68 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.5 Cg_endo -74.95 -8.08 19.79 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.807 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 20' ' ' ARG . 47.0 p-10 -79.63 4.29 16.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.64 15.92 47.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.927 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 4.5 mtt-85 -114.9 114.35 25.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 0.778 . . . . 0.0 110.336 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.32 116.23 31.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 110.261 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.554 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 15.2 p-80 -138.99 138.42 37.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.607 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 30.5 p -118.72 131.4 56.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.62 ' O ' ' O ' ' A' ' 12' ' ' VAL . 54.0 t -120.47 135.84 59.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.75 139.38 37.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.63 HG13 ' HB ' ' A' ' 12' ' ' VAL . 16.2 m -136.71 168.45 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.128 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.931 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -102.67 154.19 37.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.931 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.4 Cg_endo -75.01 -12.17 21.48 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 p -113.86 -6.32 13.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.027 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.462 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.9 m -88.81 140.33 29.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.153 . . . . 0.0 110.374 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.749 HG12 ' CG ' ' A' ' 64' ' ' GLN . 3.3 m -77.36 141.95 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.871 HD13 HD12 ' A' ' 59' ' ' LEU . 23.5 mt -69.23 -21.44 63.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.521 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.9 pp -61.54 -41.84 97.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.69 -40.6 84.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.319 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -72.1 -45.65 61.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.472 HD23 ' SG ' ' A' ' 40' ' ' CYS . 6.5 tt -60.86 -46.76 89.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 7.7 mm-40 -63.75 -41.11 98.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.543 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.7 OUTLIER -63.33 -54.22 40.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.576 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 75.7 m -59.33 -34.72 72.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.382 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.551 ' O ' ' CA ' ' A' ' 44' ' ' ASP . 8.9 m -68.07 -36.42 79.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 108.275 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.796 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.55 -48.41 67.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.796 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -75.18 -37.39 61.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.549 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 4.2 pt20 -95.97 11.23 34.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.551 ' CA ' ' O ' ' A' ' 40' ' ' CYS . 4.1 p-10 34.22 68.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.756 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -127.15 159.42 34.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.434 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 2.9 m120 -122.29 142.5 37.07 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 50' ' ' TYR . 18.3 Cg_endo -74.96 -35.23 3.3 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.494 ' C ' ' O ' ' A' ' 81' ' ' VAL . 8.9 t -65.07 -8.55 16.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.002 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.661 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 5.1 mt-10 -123.86 -1.14 8.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.756 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 14.8 m-85 -143.42 139.48 29.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.629 ' N ' ' O ' ' A' ' 79' ' ' VAL . 8.9 m-20 -131.32 147.46 52.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.78 ' O ' ' N ' ' A' ' 59' ' ' LEU . 2.9 mp -121.61 134.1 55.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -147.67 141.56 25.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.466 ' HB3' ' CD2' ' A' ' 59' ' ' LEU . 2.1 t80 -131.09 113.7 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 59.14 -107.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -110.74 14.87 22.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.421 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 4.6 m -120.4 123.96 44.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.418 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.409 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 3.7 m -82.94 140.47 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.871 HD12 HD13 ' A' ' 32' ' ' LEU . 2.5 mm? -115.36 117.77 31.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.678 ' CB ' HD23 ' A' ' 63' ' ' LEU . 9.1 t0 -141.83 -145.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.0 mt -90.06 -38.23 13.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.801 ' C ' HD22 ' A' ' 63' ' ' LEU . 91.8 p -89.68 40.79 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.054 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.801 HD22 ' C ' ' A' ' 62' ' ' SER . 3.1 mm? -131.85 101.21 5.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.749 ' CG ' HG12 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -93.98 145.25 24.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.264 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.666 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.2 t90 -63.18 -39.88 95.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 108.014 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -58.78 -14.87 9.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -115.34 -66.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -52.37 -20.7 2.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.64 ' C ' HD13 ' A' ' 70' ' ' LEU . 7.7 p-10 42.32 92.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.64 HD13 ' C ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER -100.47 165.66 13.99 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.589 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -75.02 172.42 16.4 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.6 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -46.2 -78.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.745 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 1.4 m-20 -64.26 -2.75 2.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 11' ' ' ALA . . . 22.33 87.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 1.034 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -94.88 120.14 34.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.034 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -117.35 151.71 36.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 1.9 mt-10 -102.21 132.67 47.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.579 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -91.04 137.07 32.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 110.968 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.629 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.3 m -146.05 138.95 14.14 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.844 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -75.01 133.05 16.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.918 HG22 ' H ' ' A' ' 82' ' ' SER . 5.6 p 161.97 -162.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.918 ' H ' HG22 ' A' ' 81' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.573 ' OG ' ' CZ2' ' A' ' 65' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.763 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.18 142.31 27.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.889 ' CG1' HD21 ' A' ' 76' ' ' LEU . 4.7 t -119.46 145.37 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.565 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 40.3 t -134.17 134.38 42.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.032 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.456 ' CG1' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -119.89 117.71 54.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pp -103.08 109.7 21.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 1.064 ' HB1' ' OD1' ' A' ' 18' ' ' ASN . . . -83.78 131.52 51.66 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.43 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.97 -8.44 20.1 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.781 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 1.064 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 1.4 p-10 -79.98 6.78 10.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.87 16.02 55.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.891 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 2.4 mtt180 -112.84 114.22 26.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 110.354 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -110.46 116.02 30.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.431 ' O ' ' O ' ' A' ' 14' ' ' VAL . 32.9 p-80 -139.13 138.22 36.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.604 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.565 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 5.3 t -118.89 133.86 55.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.372 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.635 ' O ' ' O ' ' A' ' 12' ' ' VAL . 77.0 t -120.55 132.87 69.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.418 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -97.24 107.84 20.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.679 HG22 HG21 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -118.77 168.44 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.15 154.28 72.26 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.372 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.663 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -75.06 -12.21 21.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.2 p -106.78 1.36 24.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.976 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.563 HG23 ' HG2' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -88.8 140.1 29.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.386 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.611 HG12 ' CG ' ' A' ' 64' ' ' GLN . 6.8 m -77.5 130.43 36.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.586 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -57.04 -21.44 31.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.258 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.504 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.1 pp -63.44 -44.6 94.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.599 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.84 -38.63 83.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.599 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.35 -48.7 46.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.62 HD23 ' CD2' ' A' ' 61' ' ' LEU . 8.5 tp -60.86 -42.25 97.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 5.8 mm-40 -67.06 -38.73 86.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.565 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 6.5 m-20 -65.7 -54.42 27.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.56 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 12.6 t -64.13 -34.07 77.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.436 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.563 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 16.1 m -67.96 -36.55 80.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.323 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.566 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -66.37 -48.83 68.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.566 ' N ' ' CG ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -74.98 -37.3 61.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.563 ' HG2' ' HA ' ' A' ' 40' ' ' CYS . 4.0 pt20 -94.32 13.19 24.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 43' ' ' GLN . 2.8 p-10 31.81 69.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.779 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 0.9 OUTLIER -129.18 159.27 36.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.433 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 3.2 t30 -123.91 143.57 42.57 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.904 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.0 -34.91 3.46 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.548 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 13.2 t -64.9 -8.53 15.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.619 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 4.9 mm-40 -123.82 -2.36 8.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.779 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 12.7 m-85 -144.84 139.54 27.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.625 ' HB2' HG12 ' A' ' 81' ' ' VAL . 6.7 m-20 -131.31 147.36 52.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.815 ' O ' ' N ' ' A' ' 59' ' ' LEU . 1.5 mp -121.87 133.85 54.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 57' ' ' THR . 17.6 ttpt -149.13 142.42 25.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.594 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -128.4 113.81 16.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.435 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 15.9 mm-40 65.69 -110.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.8 mtm-85 -110.57 14.82 22.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 110.337 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.424 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 2.8 m -119.58 127.1 52.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.383 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.7 m -87.0 140.46 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.815 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -117.15 123.32 46.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.257 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.617 ' CB ' HD23 ' A' ' 63' ' ' LEU . 3.0 t0 -138.93 -147.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.904 HD11 ' HG3' ' A' ' 47' ' ' PRO . 78.9 mt -90.23 -39.42 12.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.464 ' O ' HD13 ' A' ' 63' ' ' LEU . 79.4 p -87.73 39.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.056 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.617 HD23 ' CB ' ' A' ' 60' ' ' ASP . 2.0 mm? -131.3 105.55 7.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.611 ' CG ' HG12 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -91.65 141.38 28.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.251 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.78 ' HZ3' HG22 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -61.04 -41.1 95.94 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.557 ' HG3' ' CD1' ' A' ' 67' ' ' PHE . 15.6 ptm180 -64.72 -7.89 12.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.557 ' CD1' ' HG3' ' A' ' 66' ' ' ARG . 7.2 m-30 -114.37 -59.13 2.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.11 -9.06 54.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.1 p30 41.08 89.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.566 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 0.1 OUTLIER -85.99 159.83 53.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.563 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.1 Cg_endo -75.02 172.47 16.3 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.469 1.773 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.628 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -42.3 -85.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.763 ' C ' ' O ' ' A' ' 11' ' ' ALA . 1.4 t-20 -63.0 -1.83 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.565 ' HB3' ' HA ' ' A' ' 12' ' ' VAL . . . 29.24 76.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 1.024 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -92.85 117.05 29.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.024 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -113.89 153.92 28.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -101.51 128.72 47.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.559 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -85.41 136.02 33.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.619 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.6 m -145.31 141.21 16.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.874 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.97 133.07 16.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.951 HG22 ' H ' ' A' ' 82' ' ' SER . 5.8 p 160.3 -159.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.347 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.951 ' H ' HG22 ' A' ' 81' ' ' VAL . 22.7 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.586 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 2.5 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.722 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -146.38 147.87 31.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.028 HG22 HD21 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -118.57 131.72 70.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.855 ' O ' HD22 ' A' ' 76' ' ' LEU . 9.2 t -119.86 130.36 54.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.179 . . . . 0.0 109.992 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.592 HG13 ' HB2' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -119.61 117.32 53.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.894 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -105.86 124.15 49.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.796 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -86.83 136.37 34.48 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.99 -8.18 19.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.541 1.811 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 20' ' ' ARG . 47.3 p30 -79.64 2.24 23.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.67 15.61 39.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.796 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 33.6 mtt-85 -115.9 114.3 24.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -110.3 125.95 53.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.097 . . . . 0.0 110.277 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.559 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 11.7 p-80 -139.13 136.56 35.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 0.0 109.607 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.528 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 4.6 t -118.76 125.66 50.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.728 ' O ' ' O ' ' A' ' 12' ' ' VAL . 50.4 t -120.46 123.47 70.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.85 114.41 21.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.541 HG22 ' HB ' ' A' ' 12' ' ' VAL . 3.5 m -118.42 168.48 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.51 154.15 48.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.377 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.655 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.4 Cg_endo -74.96 -12.37 21.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.487 1.783 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.0 p -107.84 -5.94 16.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.429 HG23 ' HG2' ' A' ' 34' ' ' GLN . 2.3 m -88.8 140.04 29.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.358 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.955 HG13 ' HG3' ' A' ' 64' ' ' GLN . 6.5 t -77.41 135.5 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.986 HD12 ' O ' ' A' ' 63' ' ' LEU . 5.3 mt -60.55 -21.28 62.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.712 HD23 HG11 ' A' ' 31' ' ' VAL . 1.1 pp -62.47 -45.34 93.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.653 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -67.38 -37.77 83.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.648 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -72.37 -50.16 37.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 13.8 tp -61.29 -39.45 90.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 5.4 mm-40 -66.0 -43.55 87.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.569 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 1.2 m-20 -63.28 -54.3 39.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.655 HG22 ' CD ' ' A' ' 43' ' ' GLN . 97.8 m -61.3 -34.55 75.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 44' ' ' ASP . 15.4 m -68.28 -36.71 79.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 108.252 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.566 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.88 -48.93 64.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.578 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -74.91 -37.35 62.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.655 ' CD ' HG22 ' A' ' 39' ' ' THR . 1.6 pt20 -90.69 2.22 56.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 40' ' ' CYS . 2.3 p-10 43.4 66.69 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.795 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.3 m-85 -128.44 159.19 36.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.46 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -123.53 143.77 42.44 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.646 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.0 -35.53 3.08 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.455 1.766 . . . . 0.0 110.972 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.51 ' C ' ' O ' ' A' ' 81' ' ' VAL . 45.1 t -65.41 -8.38 18.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.621 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 7.4 mt-10 -123.69 -1.39 8.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.795 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 14.3 m-85 -144.93 139.42 27.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.747 ' C ' HD13 ' A' ' 52' ' ' LEU . 7.5 m-20 -131.34 147.51 52.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.763 ' O ' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -121.71 134.34 54.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 57' ' ' THR . 1.9 tmmm? -146.69 142.7 28.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.483 ' O ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -134.28 113.74 12.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.464 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 2.8 mm-40 60.18 -109.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -110.6 14.81 22.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.41 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 1.3 m -120.4 127.34 52.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.409 ' C ' HD22 ' A' ' 59' ' ' LEU . 4.0 m -84.66 140.44 16.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.896 HD11 HD21 ' A' ' 70' ' ' LEU . 4.3 mm? -114.9 118.32 33.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.691 ' CB ' HD23 ' A' ' 63' ' ' LEU . 7.7 t0 -145.05 -148.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.646 HD11 ' CG ' ' A' ' 47' ' ' PRO . 5.1 mt -90.27 -39.27 12.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.788 ' C ' HD22 ' A' ' 63' ' ' LEU . 87.8 p -86.66 38.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.019 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.986 ' O ' HD12 ' A' ' 32' ' ' LEU . 3.2 mm? -134.05 106.28 7.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.955 ' HG3' HG13 ' A' ' 31' ' ' VAL . 11.8 mp0 -93.98 144.36 25.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.655 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.4 t90 -63.43 -40.65 97.74 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -56.76 -15.09 4.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.467 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 10.1 m-85 -114.49 -57.81 2.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 69' ' ' ASN . . . -60.14 -15.5 24.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 67' ' ' PHE . 6.2 p30 37.45 82.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.896 HD21 HD11 ' A' ' 59' ' ' LEU . 8.8 mt -86.59 161.43 48.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.617 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -75.01 172.53 16.19 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.672 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -37.59 -88.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.722 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -64.12 -1.78 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.669 ' HB3' HG23 ' A' ' 12' ' ' VAL . . . 26.58 86.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 1.039 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -88.4 127.62 35.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.039 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -121.99 153.88 37.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.571 ' HA ' HD13 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -102.85 130.71 49.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.678 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -87.88 134.56 33.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.633 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.5 m -146.13 136.15 11.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.872 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.97 133.01 16.12 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.945 HG22 ' H ' ' A' ' 82' ' ' SER . 6.3 p 160.02 -155.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.245 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.945 ' H ' HG22 ' A' ' 81' ' ' VAL . 72.8 p . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.476 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 57.8 m . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.73 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -142.67 149.43 38.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.724 ' CG2' HD11 ' A' ' 76' ' ' LEU . 0.6 OUTLIER -118.76 138.93 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.655 ' O ' ' N ' ' A' ' 76' ' ' LEU . 9.2 t -125.47 129.32 49.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.869 HG11 HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -119.75 117.22 53.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.851 HD22 ' C ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -107.55 120.97 43.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.765 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -84.57 135.42 40.83 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -75.01 -8.27 19.91 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.508 1.794 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.448 ' OD1' ' HB2' ' A' ' 20' ' ' ARG . 42.8 p30 -79.68 0.91 28.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.62 15.51 34.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.765 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 4.7 mmp_? -114.13 114.36 25.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.433 ' CG ' ' HB2' ' A' ' 15' ' ' LEU . 4.0 mtp180 -110.12 123.43 49.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.593 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 9.9 p-80 -139.18 136.28 34.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.58 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 4.0 t -118.71 125.56 49.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.675 ' O ' ' O ' ' A' ' 12' ' ' VAL . 60.3 t -120.31 123.39 70.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -83.7 107.69 16.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.532 HG22 ' HB ' ' A' ' 12' ' ' VAL . 3.8 m -106.7 167.06 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.923 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -92.07 153.93 43.3 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.923 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.4 Cg_endo -74.98 -12.46 21.57 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.445 1.761 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 p -112.97 -4.76 13.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.021 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.611 HG23 ' OE1' ' A' ' 34' ' ' GLN . 1.3 m -88.07 140.19 29.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.918 HG12 ' HG2' ' A' ' 64' ' ' GLN . 12.7 m -77.44 128.25 38.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.236 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.639 HD11 HD21 ' A' ' 70' ' ' LEU . 2.1 mt -57.08 -21.3 30.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.551 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.5 pp -62.1 -45.64 92.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.637 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.71 -37.95 82.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.637 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.8 OUTLIER -72.33 -50.17 37.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.655 HD23 HD23 ' A' ' 61' ' ' LEU . 16.6 tp -62.44 -37.7 86.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.551 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 6.8 mm-40 -65.89 -41.81 91.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.549 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 5.8 m-20 -64.5 -54.13 37.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.574 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 68.8 m -58.42 -35.56 72.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.419 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.515 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 18.9 m -68.24 -36.59 79.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 108.293 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.562 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 1.9 ptt180 -67.61 -48.64 66.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.574 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -74.93 -37.3 62.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.565 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 4.6 pt20 -95.78 13.06 27.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.513 ' C ' ' O ' ' A' ' 43' ' ' GLN . 0.9 OUTLIER 31.77 69.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CG ' ' HG3' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -127.56 159.36 34.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.426 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 0.5 OUTLIER -122.91 141.72 36.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.895 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.02 -35.04 3.35 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.48 1.779 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 81' ' ' VAL . 1.7 p -64.77 -8.62 15.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.969 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.597 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 2.9 mt-10 -123.71 -2.55 8.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.355 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.574 ' CD1' ' CE ' ' A' ' 78' ' ' MET . 21.3 m-85 -144.73 139.43 27.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.653 ' N ' ' O ' ' A' ' 79' ' ' VAL . 2.8 m-20 -131.17 147.25 52.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.869 HD23 HG11 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -121.81 134.65 54.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 57' ' ' THR . 2.5 ttmm -148.8 137.33 21.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.91 ' HB2' HD23 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -115.86 113.71 23.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.451 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 5.7 mm-40 56.78 -103.06 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.72 14.9 22.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.542 ' O ' ' N ' ' A' ' 54' ' ' PHE . 5.9 m -117.35 133.76 55.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.379 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.621 ' C ' HD22 ' A' ' 59' ' ' LEU . 26.4 m -91.73 140.59 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.866 ' HG ' HD22 ' A' ' 76' ' ' LEU . 3.9 mm? -120.34 119.66 33.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.497 ' N ' HD12 ' A' ' 63' ' ' LEU . 3.4 t0 -141.83 -153.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.895 HD11 ' CG ' ' A' ' 47' ' ' PRO . 8.2 mt -90.24 -40.54 12.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.6 p -86.16 39.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 60' ' ' ASP . 23.7 mt -144.19 108.29 4.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.918 ' HG2' HG12 ' A' ' 31' ' ' VAL . 7.3 mp0 -90.94 154.4 19.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.653 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.0 OUTLIER -62.9 -42.86 99.93 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -18.29 9.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -105.39 -64.87 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.462 ' C ' ' ND2' ' A' ' 69' ' ' ASN . . . -56.69 -18.87 13.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.566 ' C ' HD13 ' A' ' 70' ' ' LEU . 5.2 p30 42.3 93.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.639 HD21 HD11 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -98.85 159.14 31.06 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.638 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -74.98 172.55 16.14 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.801 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.644 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -35.0 -90.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.73 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -64.79 -1.99 2.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.638 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 27.88 85.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -84.13 121.34 27.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.91 HD23 ' HB2' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -122.13 154.05 37.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.691 ' HA ' HD13 ' A' ' 15' ' ' LEU . 6.6 mt-10 -106.87 141.23 38.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.574 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -92.7 135.64 33.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 111.023 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.653 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.5 p -146.13 135.42 11.39 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.817 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.05 132.82 15.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.923 HG22 ' H ' ' A' ' 82' ' ' SER . 6.3 p 162.77 -156.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.923 ' H ' HG22 ' A' ' 81' ' ' VAL . 12.2 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.994 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.734 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.05 146.71 30.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.71 ' O ' ' O ' ' A' ' 24' ' ' VAL . 1.1 t -118.79 149.39 21.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.78 ' O ' HD22 ' A' ' 76' ' ' LEU . 31.4 t -137.49 134.08 35.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.039 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.73 117.45 53.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pp -101.59 109.59 21.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.884 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -81.71 131.47 57.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.96 -8.57 20.24 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.55 1.816 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.488 ' ND2' ' HB1' ' A' ' 16' ' ' ALA . 11.6 p30 -80.11 4.46 17.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.11 15.83 46.68 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.884 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -112.35 114.3 26.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -110.33 116.21 31.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 14' ' ' VAL . 19.4 p-80 -138.64 138.78 38.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.596 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.682 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 14.8 p -118.65 130.61 55.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.397 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.71 ' O ' ' O ' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -120.56 134.43 64.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -76.83 127.37 32.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.557 ' CG1' ' N ' ' A' ' 27' ' ' THR . 2.7 t -121.74 167.43 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.557 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -110.57 154.27 43.18 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.412 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.622 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.2 Cg_endo -74.98 -12.32 21.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.535 1.808 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.9 p -114.87 -3.49 12.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.3 m -88.81 139.18 30.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.746 HG12 ' CG ' ' A' ' 64' ' ' GLN . 12.5 m -77.66 127.46 38.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.114 HD11 HD21 ' A' ' 70' ' ' LEU . 7.2 mt -57.02 -21.36 30.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.518 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.3 pp -64.51 -44.64 90.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.654 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.81 -38.06 82.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.264 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.654 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.48 -49.81 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.77 HD22 ' CD2' ' A' ' 61' ' ' LEU . 6.1 tt -61.35 -42.75 99.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.8 mm-40 -65.64 -38.67 90.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.586 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -59.8 -54.23 48.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.657 HG23 ' NE2' ' A' ' 43' ' ' GLN . 12.3 t -61.91 -34.41 76.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.559 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 8.5 m -67.94 -36.42 80.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 108.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.559 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -66.48 -48.8 68.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.586 ' CD ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -75.13 -37.37 61.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.657 ' NE2' HG23 ' A' ' 39' ' ' THR . 5.1 pt20 -95.13 11.25 32.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 40' ' ' CYS . 3.4 p-10 34.31 68.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.837 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -126.79 159.28 34.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 18.4 m120 -121.36 144.61 40.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.349 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.718 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -74.98 -36.52 2.51 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.516 ' C ' ' O ' ' A' ' 81' ' ' VAL . 10.2 t -63.21 -8.59 8.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.634 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 69.0 mt-10 -123.7 0.59 8.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.837 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 14.8 m-85 -146.97 139.45 24.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.614 ' HB2' HG12 ' A' ' 81' ' ' VAL . 7.0 m-20 -131.21 147.63 52.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.779 ' O ' ' N ' ' A' ' 59' ' ' LEU . 13.2 mt -121.58 133.9 55.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 4.0 ttpt -146.57 143.12 28.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.245 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.515 ' CE2' ' HD3' ' A' ' 71' ' ' PRO . 0.1 OUTLIER -129.38 113.84 15.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.426 ' CG ' ' N ' ' A' ' 56' ' ' ARG . 7.8 tt0 59.1 -106.89 0.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.426 ' N ' ' CG ' ' A' ' 55' ' ' GLN . 7.7 mmp_? -110.58 14.8 22.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.403 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 18.8 m -119.08 130.68 55.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.361 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.444 ' O ' HD13 ' A' ' 63' ' ' LEU . 33.3 m -88.96 140.48 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.779 ' N ' ' O ' ' A' ' 52' ' ' LEU . 4.0 mm? -116.87 119.68 36.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -141.38 -154.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.77 ' CD2' HD22 ' A' ' 36' ' ' LEU . 3.4 mt -90.18 -41.62 11.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.132 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.489 ' O ' HD23 ' A' ' 63' ' ' LEU . 80.8 p -84.2 39.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.608 ' O ' HD12 ' A' ' 32' ' ' LEU . 37.6 mt -144.72 108.9 4.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.746 ' CG ' HG12 ' A' ' 31' ' ' VAL . 20.0 mp0 -93.98 156.46 16.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.691 ' HA ' HD22 ' A' ' 70' ' ' LEU . 1.1 t90 -63.26 -43.76 97.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 107.989 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -15.22 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -112.19 -62.44 1.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.45 ' C ' ' ND2' ' A' ' 69' ' ' ASN . . . -60.9 -15.96 36.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.511 ' C ' HD13 ' A' ' 70' ' ' LEU . 4.5 p30 41.7 92.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.247 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.114 HD21 HD11 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -96.86 159.57 31.23 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.6 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 18.5 Cg_endo -74.97 172.38 16.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.782 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.681 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -40.37 -86.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.734 ' C ' ' O ' ' A' ' 11' ' ' ALA . 2.0 t30 -62.79 -1.86 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 71' ' ' PRO . . . 25.24 84.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.87 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -92.51 118.21 30.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.87 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -112.33 153.28 27.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 3.7 pt-20 -101.33 129.71 47.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.406 ' O ' ' HG3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -85.34 132.73 34.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.612 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.4 m -146.13 137.7 13.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.87 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.95 132.95 16.08 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.518 1.799 . . . . 0.0 111.034 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.93 HG22 ' H ' ' A' ' 82' ' ' SER . 6.2 p 159.9 -153.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.93 ' H ' HG22 ' A' ' 81' ' ' VAL . 23.8 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.719 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -146.54 140.13 25.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.006 HG12 HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -119.3 143.94 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.969 ' O ' HD22 ' A' ' 76' ' ' LEU . 29.5 t -129.85 136.99 50.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.487 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.77 117.54 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.743 HD21 ' CD ' ' A' ' 77' ' ' GLU . 1.3 pp -102.98 109.77 21.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.931 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -83.43 130.99 54.18 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.417 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.6 Cg_endo -74.94 -8.21 19.92 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.454 1.765 . . . . 0.0 111.06 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.526 ' ND2' ' HB1' ' A' ' 16' ' ' ALA . 10.2 p30 -79.8 4.47 16.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.79 15.85 47.68 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.931 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 1.8 mmt180 -114.34 114.49 25.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.275 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -110.11 115.82 30.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.487 ' O ' ' O ' ' A' ' 14' ' ' VAL . 13.7 p-80 -139.36 138.64 36.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.575 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.615 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 5.6 t -118.7 134.09 55.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.622 ' O ' ' O ' ' A' ' 12' ' ' VAL . 53.8 t -120.44 131.47 72.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.31 119.18 32.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.687 HG22 ' CG2' ' A' ' 12' ' ' VAL . 1.0 OUTLIER -128.71 168.42 21.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.719 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -82.94 154.11 67.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.719 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.3 Cg_endo -74.96 -12.29 21.6 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.8 p -106.43 -1.43 23.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.451 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.5 m -88.38 140.24 29.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.547 HG12 ' CG ' ' A' ' 64' ' ' GLN . 5.0 m -77.29 128.94 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.987 HD12 ' O ' ' A' ' 63' ' ' LEU . 4.8 mt -56.88 -21.44 29.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.525 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.7 pp -62.23 -44.45 96.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.64 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.75 -38.33 83.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 110.319 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.64 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.32 -48.41 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.657 HD23 ' SG ' ' A' ' 40' ' ' CYS . 6.2 tt -59.81 -46.57 88.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.1 mm-40 -63.85 -38.77 92.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.564 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 4.7 m-20 -63.1 -54.21 41.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.577 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 1.7 p -62.73 -34.37 77.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 110.428 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.657 ' SG ' HD23 ' A' ' 36' ' ' LEU . 14.0 m -67.7 -36.44 80.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 108.273 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.564 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.56 -48.9 65.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.577 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -75.05 -37.38 61.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.554 ' CG ' ' HB2' ' A' ' 45' ' ' PHE . 2.7 pt20 -93.88 7.92 43.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 40' ' ' CYS . 6.4 p-10 37.16 67.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.718 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 m-85 -127.64 159.31 35.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 3.3 m-80 -121.65 143.57 38.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.554 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.0 -34.63 3.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.503 ' C ' ' O ' ' A' ' 81' ' ' VAL . 42.1 t -65.98 -8.44 22.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.622 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.6 mm-40 -123.66 0.51 8.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.718 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 17.2 m-85 -147.46 139.36 24.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.656 ' N ' ' O ' ' A' ' 79' ' ' VAL . 5.2 m-20 -131.33 147.23 52.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.785 ' O ' ' N ' ' A' ' 59' ' ' LEU . 2.3 mp -121.82 136.59 54.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -148.68 137.05 21.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.549 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -124.08 113.8 18.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 110.985 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.453 ' CG ' ' N ' ' A' ' 56' ' ' ARG . 0.6 OUTLIER 58.84 -107.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.453 ' N ' ' CG ' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -110.61 14.82 22.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.521 ' HB ' ' CD2' ' A' ' 54' ' ' PHE . 12.0 m -120.28 125.88 49.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.356 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.563 ' C ' HD22 ' A' ' 59' ' ' LEU . 2.6 m -82.49 140.49 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 1.039 HD11 HD21 ' A' ' 70' ' ' LEU . 1.3 mm? -114.45 117.62 31.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.517 ' CB ' HD23 ' A' ' 63' ' ' LEU . 7.4 t0 -144.12 -149.41 0.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.554 HD11 ' CG ' ' A' ' 47' ' ' PRO . 3.2 mt -90.32 -38.76 13.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.507 ' O ' HD13 ' A' ' 63' ' ' LEU . 61.8 p -88.58 39.43 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.014 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.987 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.6 mm? -134.35 106.84 7.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.547 ' CG ' HG12 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -94.14 141.71 28.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.642 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.0 OUTLIER -63.33 -39.85 95.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 108.003 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.579 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 6.2 ptp180 -56.79 -21.9 32.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.579 ' CD2' ' HG3' ' A' ' 66' ' ' ARG . 23.1 m-85 -108.67 -54.65 2.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.16 -17.25 51.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 67' ' ' PHE . 5.3 p30 41.14 86.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.039 HD21 HD11 ' A' ' 59' ' ' LEU . 2.8 mp -88.29 161.98 41.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.593 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -75.03 172.34 16.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.45 1.763 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.613 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -42.57 -82.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.719 ' C ' ' O ' ' A' ' 11' ' ' ALA . 17.6 m-20 -65.57 -1.76 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.643 ' O ' ' HA ' ' A' ' 12' ' ' VAL . . . 25.76 86.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.877 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -93.43 118.87 31.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.006 HD21 HG12 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -112.08 152.0 28.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.743 ' CD ' HD21 ' A' ' 15' ' ' LEU . 3.1 mm-40 -104.41 126.63 51.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.64 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -85.35 135.01 34.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.656 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.7 p -146.02 138.55 13.82 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.879 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.5 Cg_endo -74.92 133.0 16.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.542 1.812 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.932 HG22 ' H ' ' A' ' 82' ' ' SER . 5.9 p 159.78 -154.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.932 ' H ' HG22 ' A' ' 81' ' ' VAL . 25.0 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.028 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.562 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 71.5 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.739 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -145.76 145.69 30.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.807 HG22 HD21 ' A' ' 76' ' ' LEU . 1.2 t -120.43 142.95 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.724 ' O ' HD22 ' A' ' 76' ' ' LEU . 22.6 t -130.49 134.21 46.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.974 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.54 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.3 OUTLIER -119.7 117.4 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -102.59 109.53 21.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.918 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -83.35 132.09 51.02 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -7.56 19.28 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.622 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 4.8 p30 -79.17 6.13 10.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.15 15.85 55.01 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.918 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -116.22 114.31 24.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 0.739 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.1 116.41 31.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.54 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 7.7 p-80 -138.79 138.32 37.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.558 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.606 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 2.8 t -118.68 134.37 55.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.561 ' O ' ' O ' ' A' ' 12' ' ' VAL . 60.7 t -120.57 132.31 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.14 118.64 24.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 m -123.17 168.41 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.347 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.59 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -91.77 154.14 43.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.363 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.692 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -75.0 -12.43 21.51 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.436 1.756 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 p -108.6 -3.68 17.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.972 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.685 HG23 ' HG2' ' A' ' 34' ' ' GLN . 2.0 m -88.73 139.74 30.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.761 HG13 ' CG ' ' A' ' 64' ' ' GLN . 10.6 t -77.9 132.06 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.558 ' O ' HG22 ' A' ' 35' ' ' VAL . 2.9 mm? -56.94 -21.25 28.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.747 HD23 HG11 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -63.1 -46.38 87.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.685 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.0 OUTLIER -66.18 -39.33 89.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.138 . . . . 0.0 110.29 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -72.07 -50.18 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.561 HD23 ' CD2' ' A' ' 61' ' ' LEU . 13.5 tp -61.35 -38.76 88.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 5.4 mm-40 -65.55 -42.53 91.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.542 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 6.2 m-20 -61.31 -54.16 47.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.78 HG22 ' CD ' ' A' ' 43' ' ' GLN . 47.2 m -62.45 -35.42 79.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 44' ' ' ASP . 16.5 m -68.28 -36.49 79.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 108.336 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.784 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.95 -48.68 65.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.784 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -75.09 -37.17 61.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.322 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.78 ' CD ' HG22 ' A' ' 39' ' ' THR . 1.6 pt20 -91.49 3.49 54.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 40' ' ' CYS . 0.7 OUTLIER 42.21 67.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.802 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.2 m-85 -128.25 159.4 35.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.932 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.418 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 3.5 m120 -122.25 145.05 43.22 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.891 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.04 -34.92 3.42 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.788 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.498 ' C ' ' O ' ' A' ' 81' ' ' VAL . 7.9 t -65.89 -8.46 22.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.028 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.625 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 21.9 mt-10 -123.58 -0.21 8.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.802 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 23.8 m-85 -146.03 139.36 26.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.668 ' N ' ' O ' ' A' ' 79' ' ' VAL . 5.0 m-20 -131.39 147.58 52.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.798 ' O ' ' N ' ' A' ' 59' ' ' LEU . 8.9 mt -121.59 134.56 55.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 57' ' ' THR . 29.2 ttpt -148.83 143.26 26.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.58 ' CZ ' ' HG3' ' A' ' 71' ' ' PRO . 1.0 OUTLIER -128.47 113.85 16.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 111.009 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.55 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 5.4 mm-40 58.42 -105.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 69.0 mtt85 -110.57 14.61 22.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 54' ' ' PHE . 6.0 m -118.45 132.24 56.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.392 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.427 ' O ' HD13 ' A' ' 63' ' ' LEU . 35.8 m -89.91 140.56 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.798 ' N ' ' O ' ' A' ' 52' ' ' LEU . 3.3 mm? -117.36 119.45 35.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -142.2 -155.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.891 HD11 ' HG3' ' A' ' 47' ' ' PRO . 56.8 mt -90.2 -39.61 12.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.455 ' O ' HD23 ' A' ' 63' ' ' LEU . 96.4 p -84.6 38.6 0.7 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 109.941 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 62' ' ' SER . 32.5 mt -144.77 110.55 5.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.761 ' CG ' HG13 ' A' ' 31' ' ' VAL . 2.2 mt-30 -92.87 153.73 18.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.692 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 0.7 OUTLIER -63.45 -40.06 96.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 108.004 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.461 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 10.2 ptm180 -56.09 -27.98 55.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.256 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.461 ' CD2' ' HG3' ' A' ' 66' ' ' ARG . 26.0 m-85 -102.1 -60.62 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.943 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -56.43 -17.4 7.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 68' ' ' ALA . 5.6 p30 42.84 94.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.501 HD11 HD11 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -101.19 160.27 27.12 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.641 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -75.02 172.46 16.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.535 1.808 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.599 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -42.1 -82.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.739 ' C ' ' O ' ' A' ' 11' ' ' ALA . 76.2 m-20 -65.26 -1.71 2.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.641 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 27.56 86.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.945 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -92.05 119.07 31.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.945 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -116.29 150.06 38.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 2.4 pt-20 -101.35 132.79 46.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.279 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.85 132.9 34.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.668 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -145.99 134.9 11.12 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.845 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.03 133.03 16.06 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.464 1.771 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.932 HG22 ' H ' ' A' ' 82' ' ' SER . 6.2 p 161.76 -155.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.932 ' H ' HG22 ' A' ' 81' ' ' VAL . 3.9 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.694 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.31 140.06 24.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.974 ' CG1' HD21 ' A' ' 76' ' ' LEU . 16.6 t -119.0 142.76 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.698 ' O ' HD22 ' A' ' 76' ' ' LEU . 7.3 t -137.4 127.18 25.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.565 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.48 117.24 53.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.924 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -108.43 120.44 42.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.711 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -87.37 135.72 34.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.112 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.508 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.05 -8.51 20.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.799 . . . . 0.0 110.955 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.557 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 30.1 p-10 -80.0 0.0 33.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.05 15.99 31.69 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.711 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 11.9 mmt180 -112.22 114.2 26.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 0.721 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.665 ' NH2' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -110.55 123.19 49.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.565 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 9.6 p-80 -139.16 136.79 35.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.624 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.493 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 5.4 t -118.87 126.74 52.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.432 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.768 ' O ' ' O ' ' A' ' 12' ' ' VAL . 82.2 t -120.58 138.01 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -103.3 115.52 30.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.356 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.628 HG22 HG21 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -129.15 168.42 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.653 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -84.16 154.58 63.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.376 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.653 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.6 Cg_endo -74.94 -12.43 21.64 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.547 1.814 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 p -104.15 -2.0 26.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.408 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.9 m -88.72 140.41 29.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.428 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.619 HG12 ' CG ' ' A' ' 64' ' ' GLN . 10.7 m -77.08 128.84 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.959 HD13 HD12 ' A' ' 59' ' ' LEU . 14.8 mt -56.79 -21.34 27.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.524 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.8 pp -63.42 -45.54 90.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.587 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.85 -38.2 82.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.587 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.8 OUTLIER -72.15 -50.03 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.55 HD23 HD23 ' A' ' 61' ' ' LEU . 12.8 tp -60.79 -37.6 82.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.8 mm-40 -66.03 -43.23 88.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.523 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 9.7 m-20 -63.17 -54.14 42.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.55 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 25.5 p -59.24 -37.91 78.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.518 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 17.4 m -68.24 -36.61 79.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 108.313 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.555 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -66.41 -48.79 68.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.555 ' N ' ' CG ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -73.4 -37.12 66.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 110.304 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.541 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 1.7 pt20 -95.46 13.21 26.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.5 ' C ' ' O ' ' A' ' 43' ' ' GLN . 4.0 p-10 33.15 70.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.696 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -128.29 159.24 35.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.055 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.416 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 3.5 t30 -123.46 143.01 40.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.805 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.05 -35.87 2.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.563 1.822 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.599 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 8.0 t -62.24 -8.69 6.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.57 ' C ' ' O ' ' A' ' 81' ' ' VAL . 2.8 mm-40 -123.82 -6.42 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.696 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 15.9 m-85 -140.03 139.26 35.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.674 ' N ' ' O ' ' A' ' 79' ' ' VAL . 0.8 OUTLIER -131.54 147.51 52.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.362 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.803 ' O ' ' N ' ' A' ' 59' ' ' LEU . 8.8 mt -121.57 133.8 55.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -147.19 139.4 24.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.572 ' HB3' HD21 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -126.03 113.68 17.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.483 ' OE1' ' CE1' ' A' ' 54' ' ' PHE . 67.7 mt-30 57.96 -106.4 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.76 14.89 22.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.455 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 1.4 m -120.6 122.29 40.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.365 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.412 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 3.8 m -82.2 140.43 16.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.959 HD12 HD13 ' A' ' 32' ' ' LEU . 3.3 mm? -115.98 119.79 37.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.544 ' CB ' HD23 ' A' ' 63' ' ' LEU . 4.9 t70 -145.28 -152.71 0.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.805 HD11 ' HG3' ' A' ' 47' ' ' PRO . 96.1 mt -90.19 -19.23 24.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.853 ' C ' HD22 ' A' ' 63' ' ' LEU . 83.4 p -105.31 39.93 1.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 110.056 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.853 HD22 ' C ' ' A' ' 62' ' ' SER . 3.3 mm? -138.19 106.09 5.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.619 ' CG ' HG12 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -94.22 141.81 28.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.277 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.747 ' HZ3' HG22 ' A' ' 12' ' ' VAL . 1.2 t90 -63.4 -41.26 98.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 107.984 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -58.13 -14.97 7.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.255 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.436 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 19.8 m-85 -116.88 -60.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -59.14 -14.52 10.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 67' ' ' PHE . 4.7 p30 42.33 92.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.577 HD21 HD11 ' A' ' 32' ' ' LEU . 1.7 mp -91.87 164.48 23.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.576 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -75.03 172.13 16.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.599 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -47.27 -78.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.694 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -65.16 -1.89 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.726 ' HB2' ' CH2' ' A' ' 65' ' ' TRP . . . 31.86 83.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 1.049 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -96.03 123.71 39.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.049 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -121.5 153.86 37.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.596 ' HA ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -103.09 132.81 49.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.508 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -86.87 132.01 33.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.674 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.2 p -146.12 134.55 10.85 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.084 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.993 ' O ' HG13 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.04 132.98 15.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.776 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.993 HG13 ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER 163.02 -161.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.599 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 15.2 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.557 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 55.2 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.739 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.09 143.1 28.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.8 ' O ' ' O ' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -118.76 131.51 71.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.718 ' O ' HD22 ' A' ' 76' ' ' LEU . 10.0 t -121.74 129.42 52.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.612 HG11 HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -119.5 117.21 53.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.883 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -106.84 124.14 49.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -89.31 136.66 29.79 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.05 -8.25 19.85 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.508 ' OD1' ' CB ' ' A' ' 16' ' ' ALA . 25.4 p30 -79.79 0.65 29.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.91 16.04 34.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.11 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.654 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -112.03 114.28 27.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 110.308 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.4 121.25 44.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.577 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 12.5 p-80 -139.21 135.97 34.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.629 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 3.3 t -118.76 124.91 48.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.8 ' O ' ' O ' ' A' ' 12' ' ' VAL . 58.5 t -120.44 127.34 75.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -77.37 132.41 38.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.552 HG22 ' HB ' ' A' ' 12' ' ' VAL . 5.0 m -132.38 168.5 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.523 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -103.13 154.53 37.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 110.373 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.687 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.5 Cg_endo -74.99 -12.25 21.53 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.481 1.78 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.4 p -112.03 -5.84 14.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.028 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 m -88.76 140.37 29.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 110.365 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.961 HG12 ' HG2' ' A' ' 64' ' ' GLN . 17.4 m -77.2 129.32 37.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.92 HD11 HD21 ' A' ' 70' ' ' LEU . 8.6 mt -59.99 -21.39 61.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.538 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.9 pp -62.41 -44.09 97.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.628 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.74 -38.33 83.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.628 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.39 -48.72 46.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.493 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 9.9 tp -62.08 -40.87 97.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.6 mm-40 -64.8 -42.04 95.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.539 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 19.3 m-20 -63.81 -54.24 38.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.584 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 89.6 m -58.48 -34.48 70.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.418 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.558 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 14.5 m -68.11 -36.52 79.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 108.278 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.558 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.78 -48.79 65.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.584 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -74.83 -37.44 62.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.313 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.575 ' CG ' ' HB2' ' A' ' 45' ' ' PHE . 4.0 pt20 -93.88 8.02 42.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 110.34 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 40' ' ' CYS . 3.4 p-10 37.08 67.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.575 ' HB2' ' CG ' ' A' ' 43' ' ' GLN . 1.1 m-85 -126.88 159.3 34.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 111.03 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.434 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 7.0 m-20 -122.99 141.77 36.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.728 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.1 Cg_endo -75.09 -35.83 2.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.493 1.786 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.574 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 5.6 t -64.24 -8.54 12.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.596 ' C ' ' H ' ' A' ' 81' ' ' VAL . 2.0 mm-40 -123.98 -3.54 8.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.653 ' CD1' ' CE ' ' A' ' 78' ' ' MET . 22.5 m-85 -142.07 139.55 32.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.624 ' N ' ' O ' ' A' ' 79' ' ' VAL . 18.5 m-20 -131.36 147.58 52.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.8 ' O ' ' N ' ' A' ' 59' ' ' LEU . 9.3 mt -121.55 133.83 55.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 57' ' ' THR . 21.5 ttpt -149.0 143.13 25.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 57' ' ' THR . 0.4 OUTLIER -127.63 113.84 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.99 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.493 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 19.5 tt0 58.45 -105.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.493 ' N ' ' HG2' ' A' ' 55' ' ' GLN . 62.0 mtt85 -110.6 14.8 22.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 54' ' ' PHE . 5.3 m -118.54 130.54 55.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.382 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.466 ' O ' HD13 ' A' ' 63' ' ' LEU . 29.8 m -90.13 140.59 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.8 ' N ' ' O ' ' A' ' 52' ' ' LEU . 3.3 mm? -118.28 119.15 33.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.4 ' N ' HD12 ' A' ' 63' ' ' LEU . 3.4 t70 -142.71 -153.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.728 HD11 ' CG ' ' A' ' 47' ' ' PRO . 4.1 mt -90.19 -41.43 11.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.455 ' O ' HD23 ' A' ' 63' ' ' LEU . 75.1 p -83.73 38.32 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.022 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.466 HD13 ' O ' ' A' ' 58' ' ' VAL . 22.8 mt -145.84 107.31 4.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.961 ' HG2' HG12 ' A' ' 31' ' ' VAL . 24.8 mp0 -92.94 157.63 16.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.687 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.1 t90 -63.51 -40.47 97.14 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.425 ' HD2' ' CE2' ' A' ' 67' ' ' PHE . 4.1 ptp85 -56.14 -16.17 4.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.313 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.425 ' CE2' ' HD2' ' A' ' 66' ' ' ARG . 28.2 m-85 -115.06 -60.51 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.445 ' C ' ' ND2' ' A' ' 69' ' ' ASN . . . -57.03 -18.36 13.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.544 ' C ' HD13 ' A' ' 70' ' ' LEU . 5.3 p30 41.73 92.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.92 HD21 HD11 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -100.3 157.97 32.83 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.648 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -75.03 172.52 16.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.471 1.774 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.668 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -35.42 -90.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.739 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -64.13 -1.91 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.648 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 28.61 89.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.988 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -90.17 120.1 31.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.988 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -115.69 153.12 31.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 0.0 109.265 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.608 ' HA ' HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -102.07 130.27 48.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.653 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -88.02 132.3 34.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.624 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.8 p -146.19 136.95 12.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 1.018 ' O ' HG13 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -74.95 133.0 16.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.471 1.774 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 1.018 HG13 ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER 162.81 -163.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.574 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 65.7 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.77 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.27 141.62 26.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.034 HG12 HD21 ' A' ' 76' ' ' LEU . 2.5 t -119.0 140.51 42.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.758 ' O ' HD22 ' A' ' 76' ' ' LEU . 8.1 t -133.81 128.44 34.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.971 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.478 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -119.78 117.45 53.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.345 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.84 HD22 ' C ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -107.01 119.99 40.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -86.35 136.11 35.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.152 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.483 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.0 -8.57 20.19 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.507 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 29.3 p30 -80.1 1.05 29.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.65 16.13 34.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.631 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -110.3 114.2 27.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.46 119.2 38.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.478 ' O ' ' O ' ' A' ' 14' ' ' VAL . 11.5 p-80 -139.27 138.28 36.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.571 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 5.6 t -118.83 127.64 53.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.384 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.733 ' O ' ' O ' ' A' ' 12' ' ' VAL . 89.0 t -120.41 132.38 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -97.72 114.39 26.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.922 HG22 HG21 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -124.14 168.35 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.497 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -84.33 154.44 62.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.43 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.654 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -74.94 -12.31 21.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.781 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 p -105.32 -4.42 21.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.562 HG23 ' HG2' ' A' ' 34' ' ' GLN . 4.6 m -88.77 140.43 29.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.919 HG13 ' HG3' ' A' ' 64' ' ' GLN . 11.7 t -77.21 137.26 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.89 HD11 HD21 ' A' ' 70' ' ' LEU . 1.6 mt -62.98 -21.43 66.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.906 HD23 HG11 ' A' ' 31' ' ' VAL . 1.4 pp -62.52 -43.37 98.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.562 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.0 OUTLIER -67.84 -39.54 83.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -72.21 -49.84 40.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.549 HD23 ' CD2' ' A' ' 61' ' ' LEU . 28.3 tp -59.0 -41.27 87.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 7.3 mm-40 -65.85 -44.28 85.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.57 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -61.75 -54.24 45.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 35' ' ' VAL . 74.4 p -62.6 -35.06 78.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.385 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 44' ' ' ASP . 16.5 m -68.15 -36.62 79.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 108.321 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.564 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -65.49 -48.72 71.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.57 ' CD ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -74.9 -37.04 62.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.538 ' CG ' ' HB2' ' A' ' 45' ' ' PHE . 1.1 pt20 -91.66 6.31 46.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 40' ' ' CYS . 0.7 OUTLIER 38.95 68.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.784 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 m-85 -129.92 159.22 37.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.435 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 2.8 m-20 -121.86 143.02 37.5 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.771 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.5 Cg_endo -75.0 -35.63 3.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.567 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 10.8 t -64.45 -8.6 14.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.602 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 45.3 mm-40 -123.89 -2.49 8.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.784 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 19.4 m-85 -142.52 139.63 31.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.655 ' O ' HD13 ' A' ' 52' ' ' LEU . 1.0 OUTLIER -131.32 147.74 52.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.782 ' O ' ' N ' ' A' ' 59' ' ' LEU . 0.4 OUTLIER -121.5 133.92 55.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 57' ' ' THR . 0.7 OUTLIER -147.68 142.97 27.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.528 ' CD2' ' HB ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -129.76 113.64 14.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 55.45 -104.7 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.284 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.8 14.96 22.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.272 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.528 ' HB ' ' CD2' ' A' ' 54' ' ' PHE . 4.5 m -120.19 122.01 40.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.414 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.473 ' O ' HD13 ' A' ' 63' ' ' LEU . 34.6 m -84.37 140.65 15.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.807 HD12 HD13 ' A' ' 32' ' ' LEU . 2.2 mm? -116.13 118.6 33.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.439 ' N ' HD12 ' A' ' 63' ' ' LEU . 11.2 t0 -140.44 -154.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.771 HD11 ' CG ' ' A' ' 47' ' ' PRO . 16.8 mt -90.43 -42.77 10.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.4 p -85.09 40.68 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.029 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.588 ' O ' HD12 ' A' ' 32' ' ' LEU . 40.4 mt -143.52 105.23 4.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.919 ' HG3' HG13 ' A' ' 31' ' ' VAL . 5.4 mp0 -88.11 150.91 23.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.846 ' HZ3' HG22 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -63.44 -40.34 96.9 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.15 -17.21 6.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -110.12 -62.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -56.94 -17.5 9.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 69' ' ' ASN . 8.4 p-10 42.21 93.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.89 HD21 HD11 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -92.36 159.1 37.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.617 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.5 Cg_endo -74.95 172.46 16.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.521 1.8 . . . . 0.0 111.029 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.634 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -35.93 -91.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.77 ' C ' ' O ' ' A' ' 11' ' ' ALA . 16.1 m-20 -62.74 -1.93 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.664 ' HB2' ' CH2' ' A' ' 65' ' ' TRP . . . 30.72 86.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 1.009 ' C ' HD13 ' A' ' 76' ' ' LEU . 4.2 pttt -95.44 121.18 36.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.034 HD21 HG12 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -117.86 154.1 32.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.653 ' HA ' HD13 ' A' ' 15' ' ' LEU . 2.6 pt-20 -101.73 135.19 43.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.68 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -89.62 133.71 34.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.652 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.4 p -146.09 136.22 11.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.979 ' O ' HG13 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.97 133.02 16.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.979 HG13 ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER 164.28 -163.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.567 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 61.5 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.564 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 74.3 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.735 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -142.37 152.67 43.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.817 HG22 HD21 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -118.65 140.43 42.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.663 ' O ' ' N ' ' A' ' 76' ' ' LEU . 12.1 t -130.54 129.16 42.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.034 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.573 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -119.47 117.32 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.902 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -106.25 119.27 38.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -85.2 134.5 40.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.4 Cg_endo -74.97 -8.4 20.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.501 ' ND2' ' HB1' ' A' ' 16' ' ' ALA . 12.7 p30 -80.08 1.81 26.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.3 15.81 36.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.775 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 12.8 mmt-85 -112.84 114.3 26.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.407 ' HG2' ' HB2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -110.34 121.93 46.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.573 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 12.1 p-80 -139.24 136.79 35.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.612 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 4.9 t -118.81 125.58 49.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.385 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.719 ' O ' ' O ' ' A' ' 12' ' ' VAL . 87.1 t -120.56 127.43 75.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 17.6 pttp -81.95 113.26 19.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.597 HG13 ' HB ' ' A' ' 12' ' ' VAL . 2.5 m -114.19 168.39 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.931 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -99.59 154.06 37.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.421 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.931 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.4 Cg_endo -74.96 -12.35 21.59 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 p -111.5 -2.53 15.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.021 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.581 HG23 ' HG2' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -88.8 140.22 29.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.422 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.931 HG12 ' HG2' ' A' ' 64' ' ' GLN . 4.2 m -77.11 128.6 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.558 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -56.86 -21.43 29.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.2 pp -63.2 -43.46 98.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.368 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.581 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.0 OUTLIER -67.79 -39.89 83.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -72.06 -49.9 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.593 HD23 ' SG ' ' A' ' 40' ' ' CYS . 4.9 tt -58.79 -44.88 90.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.3 mm-40 -67.2 -42.16 84.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.278 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.602 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -61.5 -54.46 42.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.546 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 2.8 t -60.82 -34.39 74.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 110.407 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.613 ' O ' ' N ' ' A' ' 44' ' ' ASP . 8.8 m -68.3 -36.56 79.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 108.309 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.567 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -64.71 -48.74 73.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.602 ' CD ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -72.74 -36.26 67.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.559 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 1.4 pt20 -98.55 13.36 32.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.613 ' N ' ' O ' ' A' ' 40' ' ' CYS . 7.6 p-10 32.66 69.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.689 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 0.9 OUTLIER -127.59 159.47 34.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.2 m-20 -121.19 143.42 37.2 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.489 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -75.0 -35.7 2.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.455 1.766 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.497 ' C ' ' O ' ' A' ' 81' ' ' VAL . 10.2 t -64.47 -8.53 13.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.628 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 16.9 mt-10 -123.48 -2.52 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.689 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 22.9 m-85 -143.62 139.26 29.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.665 ' HB2' HG12 ' A' ' 81' ' ' VAL . 3.9 m-20 -131.4 147.65 52.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.807 ' O ' ' N ' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -121.43 133.84 55.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 57' ' ' THR . 0.5 OUTLIER -149.02 143.15 25.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 57' ' ' THR . 0.9 OUTLIER -124.47 113.64 18.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.429 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 10.6 tt0 56.97 -103.44 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.429 ' N ' ' HG2' ' A' ' 55' ' ' GLN . 9.6 mtt180 -110.64 14.53 22.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.529 ' O ' ' N ' ' A' ' 54' ' ' PHE . 16.7 m -117.16 135.84 53.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.445 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.551 ' C ' HD22 ' A' ' 59' ' ' LEU . 35.4 m -94.5 140.71 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.807 ' N ' ' O ' ' A' ' 52' ' ' LEU . 4.3 mm? -119.59 118.0 29.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.468 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.3 t0 -140.68 -152.6 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.489 HD11 ' CG ' ' A' ' 47' ' ' PRO . 1.2 mt -90.16 -42.53 11.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.441 ' O ' HD23 ' A' ' 63' ' ' LEU . 52.8 p -84.91 40.28 0.8 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.997 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.471 ' CD1' HG23 ' A' ' 58' ' ' VAL . 33.7 mt -144.35 98.79 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.931 ' HG2' HG12 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -85.78 155.69 20.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.704 ' HA ' HD22 ' A' ' 70' ' ' LEU . 1.3 t90 -63.41 -42.64 98.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 107.989 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -56.11 -15.99 4.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -111.62 -62.11 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -60.99 -14.8 25.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 69' ' ' ASN . 8.0 p-10 41.65 92.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.704 HD22 ' HA ' ' A' ' 65' ' ' TRP . 0.3 OUTLIER -95.08 157.4 36.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.674 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.99 172.49 16.27 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.648 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -38.99 -85.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.735 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.9 OUTLIER -64.32 -1.89 1.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.674 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 28.36 82.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 1.002 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -88.66 123.41 33.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.002 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -118.13 154.12 32.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.652 ' HA ' HD13 ' A' ' 15' ' ' LEU . 2.3 mt-10 -102.77 133.01 48.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.429 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -86.19 130.58 34.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 110.994 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.664 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -146.17 132.06 9.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.817 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.03 132.96 15.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.452 1.764 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.926 HG22 ' H ' ' A' ' 82' ' ' SER . 6.3 p 163.26 -155.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.926 ' H ' HG22 ' A' ' 81' ' ' VAL . 2.5 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.493 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 26.3 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.734 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -146.95 144.85 29.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.732 HG22 HD21 ' A' ' 76' ' ' LEU . 1.2 t -118.88 144.92 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.823 ' O ' HD22 ' A' ' 76' ' ' LEU . 7.3 t -130.58 136.86 49.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.03 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.549 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.4 OUTLIER -119.83 117.5 53.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.642 HD21 ' OE1' ' A' ' 77' ' ' GLU . 1.3 pp -103.53 109.66 21.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.894 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -82.81 130.87 56.28 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.07 -8.07 19.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.53 1.805 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.507 ' C ' ' OD1' ' A' ' 18' ' ' ASN . 35.8 p30 -79.58 2.46 22.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.1 15.8 40.55 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.025 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.894 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -113.72 114.29 26.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 110.325 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -110.39 116.11 30.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.549 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 12.6 p-80 -139.11 138.67 37.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.563 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.594 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 3.5 t -118.74 132.08 56.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.372 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.608 ' O ' ' O ' ' A' ' 12' ' ' VAL . 79.2 t -120.44 126.39 75.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -83.75 118.09 23.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 m -122.11 168.45 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.713 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -90.45 154.25 46.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.713 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.2 Cg_endo -74.98 -12.38 21.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.433 1.754 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.3 p -109.81 -1.49 17.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.982 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.517 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.3 m -88.75 140.09 29.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.401 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.875 HG12 ' HG2' ' A' ' 64' ' ' GLN . 3.4 m -77.4 129.71 37.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.55 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -57.42 -21.31 35.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.537 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.6 pp -63.06 -45.45 92.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.71 -39.02 84.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -72.08 -50.26 38.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 14.1 tp -61.71 -41.55 97.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.537 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 13.0 mm-40 -67.14 -38.15 85.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.571 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 1.5 m-20 -66.74 -54.25 24.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.574 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 5.2 t -62.72 -34.5 77.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.368 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.586 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 20.1 m -68.33 -36.65 79.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 108.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.564 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -66.34 -48.75 69.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.574 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -73.74 -36.46 65.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.586 ' HG2' ' HA ' ' A' ' 40' ' ' CYS . 2.7 pt20 -93.75 13.13 23.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.486 ' C ' ' O ' ' A' ' 43' ' ' GLN . 4.2 p-10 33.75 69.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.703 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -130.06 159.23 37.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.977 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.43 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.6 m120 -124.47 145.22 48.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.17 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.661 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -74.97 -35.92 2.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.581 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 13.3 t -64.55 -8.57 14.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.966 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.592 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.5 mt-10 -124.0 -2.57 8.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.703 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 23.4 m-85 -143.39 139.5 30.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.894 ' C ' HD13 ' A' ' 52' ' ' LEU . 1.2 m-20 -131.27 147.41 52.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.894 HD13 ' C ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -121.6 136.1 54.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 57' ' ' THR . 1.1 tmmm? -148.7 137.42 21.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -127.94 113.76 16.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.944 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 38.1 tt0 60.65 -109.08 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.422 ' N ' ' HG2' ' A' ' 55' ' ' GLN . 7.7 mtp180 -110.73 14.89 22.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.403 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 3.1 m -120.55 127.83 52.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.441 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.529 ' C ' HD22 ' A' ' 59' ' ' LEU . 4.2 m -81.79 140.32 16.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.963 HD11 HD21 ' A' ' 70' ' ' LEU . 3.8 mm? -115.37 118.33 32.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.736 ' HB3' HD23 ' A' ' 63' ' ' LEU . 1.4 t70 -145.76 -147.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.661 HD11 ' HG3' ' A' ' 47' ' ' PRO . 9.5 mt -90.25 -40.24 12.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.88 ' C ' HD22 ' A' ' 63' ' ' LEU . 39.9 p -88.19 41.44 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.033 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.88 HD22 ' C ' ' A' ' 62' ' ' SER . 2.9 mm? -135.63 93.58 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.875 ' HG2' HG12 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -84.39 145.01 28.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.246 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.698 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.0 OUTLIER -63.51 -40.35 96.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 107.96 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.466 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 3.5 ptt180 -56.62 -17.19 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.466 ' CD2' ' HG3' ' A' ' 66' ' ' ARG . 23.0 m-85 -115.98 -60.97 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -55.64 -17.74 6.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 68' ' ' ALA . 5.7 p30 42.82 94.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.963 HD21 HD11 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -99.14 160.65 27.1 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.61 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -75.0 172.43 16.38 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.789 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.588 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -40.59 -85.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.734 ' C ' ' O ' ' A' ' 11' ' ' ALA . 1.0 OUTLIER -64.46 -1.71 1.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.61 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 27.01 83.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.981 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -90.68 120.54 31.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.981 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -115.61 152.37 33.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.642 ' OE1' HD21 ' A' ' 15' ' ' LEU . 1.8 mt-10 -101.41 133.0 46.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.55 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -90.69 134.02 34.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.732 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.3 p -146.1 134.72 10.96 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.8 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.1 Cg_endo -75.07 133.04 16.01 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.466 1.772 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.929 HG22 ' H ' ' A' ' 82' ' ' SER . 6.2 p 165.15 -166.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.929 ' H ' HG22 ' A' ' 81' ' ' VAL . 8.1 t -122.54 100.08 6.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.022 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER 51.46 173.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.06 150.69 35.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.96 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.418 ' OG ' ' HD3' ' A' ' 28' ' ' PRO . 95.6 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.73 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.26 146.99 29.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.791 HG22 HD11 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -118.74 137.1 53.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.143 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.528 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 4.7 t -120.61 135.31 55.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.491 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.82 117.44 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -104.02 109.7 21.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.897 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -80.82 131.7 59.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.405 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.06 -8.01 19.62 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 20' ' ' ARG . 50.6 p30 -79.64 2.74 21.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.74 15.87 41.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.897 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -114.61 114.49 25.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 110.273 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -110.23 116.15 30.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.491 ' O ' ' O ' ' A' ' 14' ' ' VAL . 11.9 p-80 -139.13 138.84 37.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.587 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.528 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 3.5 t -118.02 131.7 56.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 110.389 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.62 ' O ' ' O ' ' A' ' 12' ' ' VAL . 73.3 t -120.33 126.81 75.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -86.6 121.19 28.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.6 m -125.17 168.52 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.752 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -86.52 154.23 56.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.752 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.3 Cg_endo -75.02 -12.45 21.47 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.487 1.783 . . . . 0.0 110.956 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.3 p -108.57 -4.74 16.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.969 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.823 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.4 m -87.83 139.63 30.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.423 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.928 HG11 HD23 ' A' ' 33' ' ' LEU . 17.1 t -77.98 133.33 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 63' ' ' LEU . 1.1 mt -56.93 -21.28 28.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.928 HD23 HG11 ' A' ' 31' ' ' VAL . 1.2 pp -62.88 -44.84 95.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.823 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.0 OUTLIER -67.23 -39.27 86.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.287 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -72.06 -49.48 43.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.754 HD22 ' CD2' ' A' ' 61' ' ' LEU . 4.0 tt -60.93 -41.67 96.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 12.2 mm-40 -63.51 -43.23 97.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.591 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 4.6 m-20 -60.92 -54.16 48.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.565 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 44.9 m -62.72 -34.58 77.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.408 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 44' ' ' ASP . 10.5 m -68.34 -36.56 79.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 108.301 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.564 ' HG2' ' N ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -67.4 -48.88 66.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.591 ' CD ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -75.21 -37.37 61.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.258 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.567 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 2.4 pt20 -92.38 5.92 48.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 40' ' ' CYS . 5.2 p-10 39.83 67.16 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.817 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 m-85 -127.35 159.4 34.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.463 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -121.17 144.22 39.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.634 ' CB ' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.02 -36.26 2.64 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.529 ' C ' ' O ' ' A' ' 81' ' ' VAL . 10.9 t -65.29 -8.68 19.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.619 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 2.5 mm-40 -123.7 1.46 8.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.817 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 18.3 m-85 -146.0 139.47 26.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.625 ' N ' ' O ' ' A' ' 79' ' ' VAL . 6.5 m-20 -131.32 147.24 52.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.782 ' O ' ' N ' ' A' ' 59' ' ' LEU . 1.3 mm? -121.86 136.29 54.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 77' ' ' GLU . 11.1 ttpt -148.85 139.59 22.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.356 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.835 ' HB2' HD23 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -122.94 113.79 19.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.475 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 34.1 tt0 56.56 -104.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.475 ' N ' ' HG2' ' A' ' 55' ' ' GLN . 8.3 mtp180 -110.8 14.34 22.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.554 ' O ' ' N ' ' A' ' 54' ' ' PHE . 3.4 m -117.93 132.03 56.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.448 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.434 ' O ' HD13 ' A' ' 63' ' ' LEU . 27.4 m -90.31 140.57 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.823 ' HG ' HD22 ' A' ' 76' ' ' LEU . 4.1 mm? -117.36 118.17 31.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.415 ' N ' HD12 ' A' ' 63' ' ' LEU . 8.1 t0 -138.18 -153.61 0.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.754 ' CD2' HD22 ' A' ' 36' ' ' LEU . 5.1 mt -90.31 -42.38 10.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.4 p -85.91 40.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.74 ' O ' HD12 ' A' ' 32' ' ' LEU . 44.0 mt -143.21 110.85 5.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.892 ' HG3' HG13 ' A' ' 31' ' ' VAL . 13.7 mp0 -94.13 156.14 16.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.669 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 0.7 OUTLIER -63.37 -38.71 92.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 107.995 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.514 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 17.0 ptt180 -56.12 -27.99 56.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.514 ' CD2' ' HG3' ' A' ' 66' ' ' ARG . 30.5 m-85 -100.9 -55.65 2.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -59.26 -19.94 50.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.46 ' O ' ' O ' ' A' ' 68' ' ' ALA . 5.3 p30 40.79 93.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.703 HD21 HD11 ' A' ' 59' ' ' LEU . 5.9 mt -104.93 158.14 32.67 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.691 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -75.01 172.6 16.04 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.497 1.788 . . . . 0.0 111.021 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.627 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -35.84 -90.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.73 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -63.88 -1.93 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 71' ' ' PRO . . . 24.35 88.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.439 ' HA ' ' HB3' ' A' ' 13' ' ' SER . 0.0 OUTLIER -85.94 122.18 29.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.835 HD23 ' HB2' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -122.1 153.82 38.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -103.98 144.31 31.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.503 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -99.23 134.47 42.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.625 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.5 p -145.88 136.03 11.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.842 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.98 133.1 16.21 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.954 HG22 ' H ' ' A' ' 82' ' ' SER . 6.6 p 162.04 -154.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.954 ' H ' HG22 ' A' ' 81' ' ' VAL . 9.1 p -130.42 175.16 9.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.042 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? -44.3 -57.21 3.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.94 149.35 17.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.009 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.2 mtt85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.601 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 31.7 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.707 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.23 143.12 27.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.839 HG22 HD21 ' A' ' 76' ' ' LEU . 1.1 t -118.68 137.48 52.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.802 ' O ' HD22 ' A' ' 76' ' ' LEU . 19.5 t -123.76 135.84 54.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.527 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.92 117.47 53.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.472 HD21 ' OE2' ' A' ' 77' ' ' GLU . 1.4 pp -102.55 109.58 21.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.908 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -81.58 131.07 59.12 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.99 -8.14 19.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.43 ' OD1' ' C ' ' A' ' 18' ' ' ASN . 18.5 p30 -79.67 3.5 18.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.91 15.75 44.32 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.446 1.091 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.908 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 1.5 mmt180 -114.04 114.39 26.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.25 116.01 30.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.527 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 14.8 p-80 -139.19 138.6 37.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.581 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.578 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 0.5 OUTLIER -118.77 131.94 56.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.345 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.615 ' O ' ' O ' ' A' ' 12' ' ' VAL . 73.6 t -120.31 123.51 70.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.44 111.37 14.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.618 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.0 m -112.22 168.42 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.925 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -96.23 154.28 38.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.363 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.925 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.3 Cg_endo -75.01 -12.72 21.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.778 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 p -110.91 -5.51 14.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.972 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.448 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.6 m -87.94 140.15 29.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.439 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.976 HG12 ' CG ' ' A' ' 64' ' ' GLN . 6.0 m -77.38 127.48 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.829 HD13 HD23 ' A' ' 59' ' ' LEU . 5.8 mt -56.91 -21.43 29.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.5 pp -64.08 -45.15 90.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.61 -38.96 84.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.562 HG13 ' O ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -72.03 -50.05 39.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.613 HD23 ' CD2' ' A' ' 61' ' ' LEU . 16.5 tp -60.01 -39.4 85.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 6.8 mm-40 -64.68 -44.03 91.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.523 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 5.3 m-20 -60.11 -54.18 48.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.584 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 64.0 m -62.11 -34.85 77.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.413 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.509 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 17.2 m -68.17 -36.62 79.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 108.327 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.565 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 2.6 ptt180 -68.02 -48.88 64.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.584 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.3 OUTLIER -74.93 -37.26 62.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.555 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 1.8 pt20 -90.76 3.47 54.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 40' ' ' CYS . 3.0 p-10 42.72 66.66 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.799 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.2 m-85 -128.02 159.28 35.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.5 m-20 -123.13 144.32 43.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.896 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -74.99 -35.26 3.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.524 ' C ' ' O ' ' A' ' 81' ' ' VAL . 30.0 t -66.47 -8.35 25.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.634 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.4 mm-40 -123.35 1.36 9.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.799 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 17.5 m-85 -146.65 139.17 25.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.67 ' N ' ' O ' ' A' ' 79' ' ' VAL . 4.0 m-20 -131.58 147.68 52.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.761 ' O ' ' N ' ' A' ' 59' ' ' LEU . 10.3 mt -121.47 133.92 55.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 57' ' ' THR . 3.7 tmmm? -147.89 138.73 23.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.43 ' CE1' ' HG3' ' A' ' 55' ' ' GLN . 4.1 t80 -124.71 113.7 18.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.43 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 9.7 mt-30 59.63 -107.3 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.351 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.2 mmp_? -110.88 14.98 22.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.451 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 2.7 m -120.96 120.95 36.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.658 ' O ' HD13 ' A' ' 63' ' ' LEU . 27.0 m -81.97 140.68 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.861 HD21 HD21 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -119.4 125.12 48.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.631 ' N ' HD12 ' A' ' 63' ' ' LEU . 1.8 t70 -142.07 -149.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.896 HD11 ' HG3' ' A' ' 47' ' ' PRO . 96.0 mt -90.21 -40.38 12.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.5 p -85.63 38.27 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.813 ' O ' HD12 ' A' ' 32' ' ' LEU . 31.6 mt -142.07 107.71 5.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.976 ' CG ' HG12 ' A' ' 31' ' ' VAL . 19.2 mp0 -93.99 157.26 16.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.698 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.2 t90 -63.36 -43.06 98.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 108.019 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -56.2 -15.89 4.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -111.53 -61.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -60.4 -17.73 45.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.459 ' O ' ' O ' ' A' ' 68' ' ' ALA . 8.1 p-10 42.5 95.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.861 HD21 HD21 ' A' ' 59' ' ' LEU . 5.8 mt -102.78 157.74 33.13 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.708 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -75.0 172.46 16.32 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.788 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.646 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -37.76 -87.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.707 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -63.69 -1.94 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 71' ' ' PRO . . . 22.33 90.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 1.03 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -93.42 121.0 34.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.03 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -116.82 153.21 32.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.472 ' OE2' HD21 ' A' ' 15' ' ' LEU . 2.6 mt-10 -101.93 132.76 47.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.489 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -88.89 135.43 33.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.953 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.67 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.1 m -146.06 135.99 11.82 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.852 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.99 132.99 16.06 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.526 1.803 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.949 HG22 ' H ' ' A' ' 82' ' ' SER . 6.8 p 160.79 -154.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.949 ' H ' HG22 ' A' ' 81' ' ' VAL . 10.1 p -130.51 174.75 9.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -39.37 129.18 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.97 159.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.027 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.506 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 1.8 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.685 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.23 141.91 26.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.783 HG22 HD21 ' A' ' 76' ' ' LEU . 1.2 t -118.75 143.76 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.794 ' O ' HD22 ' A' ' 76' ' ' LEU . 30.0 t -129.76 135.75 48.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.988 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.474 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.73 117.48 53.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.647 HD21 ' OE1' ' A' ' 77' ' ' GLU . 1.3 pp -103.79 109.78 21.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.91 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -82.54 130.82 57.27 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.05 -8.16 19.77 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.52 ' OD1' ' HB2' ' A' ' 20' ' ' ARG . 40.8 p30 -79.71 1.47 26.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.24 15.92 36.79 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.91 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 7.7 mmp_? -113.97 114.49 26.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.15 115.97 30.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.474 ' O ' ' O ' ' A' ' 14' ' ' VAL . 11.9 p-80 -139.26 138.68 36.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.562 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.579 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 4.7 t -118.79 132.71 56.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.372 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.585 ' O ' ' O ' ' A' ' 12' ' ' VAL . 53.6 t -120.61 128.63 76.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.234 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.99 116.73 23.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.414 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.5 m -119.49 168.41 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.682 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -92.24 154.22 43.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.46 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.706 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.2 Cg_endo -74.99 -12.7 21.53 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.487 1.783 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 p -111.03 -3.2 15.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -88.74 140.06 29.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.688 HG12 ' CG ' ' A' ' 64' ' ' GLN . 13.3 m -77.24 127.34 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.951 HD13 HD12 ' A' ' 59' ' ' LEU . 65.3 mt -56.93 -21.22 28.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.503 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.8 pp -63.02 -45.59 91.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.612 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.75 -37.84 82.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.612 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.3 -48.09 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.483 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 19.5 tp -62.78 -37.64 87.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 5.7 mm-40 -65.97 -43.46 87.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.489 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 1.4 m-20 -62.36 -53.98 47.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.561 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 6.2 m -59.84 -36.67 77.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.407 1.067 . . . . 0.0 110.412 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.509 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 16.5 m -68.21 -36.69 79.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 108.309 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.563 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -68.04 -48.96 64.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.107 . . . . 0.0 110.321 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.563 ' N ' ' CG ' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -74.99 -37.29 61.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.567 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 1.5 pt20 -90.77 3.22 54.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' CYS . 1.3 p30 42.68 66.2 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.795 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.2 m-85 -127.36 159.2 35.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.447 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 4.8 t30 -122.77 143.98 41.56 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 50' ' ' TYR . 18.3 Cg_endo -75.02 -35.86 2.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.514 ' C ' ' O ' ' A' ' 81' ' ' VAL . 47.7 t -65.39 -8.33 18.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.634 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 2.6 mm-40 -123.58 -0.09 8.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.27 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.795 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 15.0 m-85 -145.95 139.34 26.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.679 ' N ' ' O ' ' A' ' 79' ' ' VAL . 6.5 m-20 -131.42 147.58 52.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.741 ' O ' ' N ' ' A' ' 59' ' ' LEU . 4.5 mp -121.54 136.96 54.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 57' ' ' THR . 3.1 tmmm? -149.05 143.23 25.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.482 ' HB3' ' CD2' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -134.3 113.71 12.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.462 ' CG ' ' N ' ' A' ' 56' ' ' ARG . 3.7 tp60 58.95 -108.04 0.38 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.462 ' N ' ' CG ' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -110.72 14.93 22.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.137 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.406 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 3.0 m -120.57 126.62 50.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.406 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.4 ' HA ' ' HG2' ' A' ' 53' ' ' LYS . 4.3 m -83.79 140.36 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.951 HD12 HD13 ' A' ' 32' ' ' LEU . 4.3 mm? -113.55 117.14 30.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.699 ' HB3' HD23 ' A' ' 63' ' ' LEU . 3.4 t0 -144.36 -148.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.408 HD11 ' CG ' ' A' ' 47' ' ' PRO . 16.6 mt -90.1 -38.14 13.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.849 ' C ' HD22 ' A' ' 63' ' ' LEU . 38.9 p -88.7 39.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.849 HD22 ' C ' ' A' ' 62' ' ' SER . 3.0 mm? -135.95 102.2 4.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.688 ' CG ' HG12 ' A' ' 31' ' ' VAL . 22.5 mp0 -93.93 147.93 22.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.706 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.1 t90 -63.31 -42.99 99.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -57.28 -15.85 7.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -112.85 -63.58 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -58.54 -13.97 6.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.428 ' ND2' ' C ' ' A' ' 68' ' ' ALA . 5.3 p30 40.7 90.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.73 HD11 HD11 ' A' ' 59' ' ' LEU . 54.7 mt -95.47 161.26 28.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.649 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -75.03 172.45 16.34 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.59 1.837 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.581 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -45.34 -76.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.685 ' C ' ' O ' ' A' ' 11' ' ' ALA . 1.6 m-20 -68.13 -1.82 6.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.649 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 24.05 84.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 1.019 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -90.86 122.68 33.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.019 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -121.07 149.5 42.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.647 ' OE1' HD21 ' A' ' 15' ' ' LEU . 1.6 mt-10 -101.67 135.17 43.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.414 ' HE3' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -90.92 136.39 33.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.679 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -146.1 136.45 12.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.869 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.03 132.98 15.99 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.932 HG22 ' H ' ' A' ' 82' ' ' SER . 6.3 p 159.87 -153.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.932 ' H ' HG22 ' A' ' 81' ' ' VAL . 77.8 p -129.33 177.05 7.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 82' ' ' SER . 0.4 OUTLIER -35.6 -59.92 0.54 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 85' ' ' ARG . 0.2 OUTLIER 65.48 82.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.023 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 84' ' ' SER . 1.4 mmp_? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.269 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.487 ' OG ' ' CZ2' ' A' ' 65' ' ' TRP . 1.4 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.783 ' HB3' ' HA ' ' A' ' 73' ' ' ASN . . . -147.12 140.96 25.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.731 HG22 HD21 ' A' ' 76' ' ' LEU . 1.2 t -118.82 132.32 69.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.825 ' O ' HD22 ' A' ' 76' ' ' LEU . 11.3 t -122.05 135.23 54.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.961 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.556 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.64 117.31 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.256 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 15' ' ' LEU . 1.4 pp -102.23 109.65 21.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 1.075 ' HB1' ' OD1' ' A' ' 18' ' ' ASN . . . -82.77 131.25 55.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.02 -8.33 19.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.791 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 1.075 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 1.1 p-10 -79.86 6.03 12.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.97 15.89 52.79 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.926 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 3.5 mmt-85 -113.7 114.44 26.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.774 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.3 115.98 30.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.556 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 9.1 p-80 -139.26 138.61 36.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.605 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.58 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 4.5 t -118.84 132.95 56.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.403 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.643 ' O ' ' O ' ' A' ' 12' ' ' VAL . 77.8 t -120.48 124.38 72.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.17 113.03 19.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.407 1.067 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.479 HG22 ' HB ' ' A' ' 12' ' ' VAL . 3.8 m -117.49 168.52 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.661 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -90.28 154.33 46.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.661 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.3 Cg_endo -74.98 -12.3 21.54 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.474 1.776 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 p -109.6 -2.33 17.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.027 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -87.56 140.38 29.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.409 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.942 HG12 ' HG2' ' A' ' 64' ' ' GLN . 11.9 m -77.08 126.94 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.731 HD13 HD12 ' A' ' 59' ' ' LEU . 4.2 mt -56.7 -21.45 27.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.524 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.3 pp -64.14 -44.06 93.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.654 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.89 -37.25 81.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.654 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.46 -50.22 36.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 13.5 tp -60.48 -39.52 87.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 5.2 mm-40 -65.43 -44.44 87.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.33 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.562 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 1.2 m-20 -59.85 -54.1 50.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.575 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 13.0 p -63.1 -35.23 79.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.391 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.526 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 15.4 m -68.14 -36.64 80.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.321 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.567 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -67.97 -48.8 64.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.575 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -75.12 -37.38 61.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.551 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 2.9 pt20 -91.43 4.51 52.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 40' ' ' CYS . 3.5 p-10 41.4 66.95 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.818 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.2 m-85 -127.77 159.35 35.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.439 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 2.2 m-20 -122.53 145.41 44.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.873 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.07 -35.13 3.27 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.543 1.812 . . . . 0.0 111.035 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.536 ' C ' ' O ' ' A' ' 81' ' ' VAL . 10.2 t -66.28 -8.4 24.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.636 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.6 mt-10 -123.56 0.68 8.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.818 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 18.7 m-85 -147.47 139.48 24.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.624 ' HB2' HG12 ' A' ' 81' ' ' VAL . 7.0 m-20 -131.33 147.7 52.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.79 ' O ' ' N ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -121.37 134.0 55.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 57' ' ' THR . 3.9 tmmm? -147.09 142.83 27.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.534 ' CE2' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -130.14 113.65 14.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 56.78 -105.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.88 14.84 22.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.433 ' HB ' ' CD2' ' A' ' 54' ' ' PHE . 5.8 m -120.46 123.01 41.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.41 ' O ' HD13 ' A' ' 63' ' ' LEU . 29.2 m -82.9 140.66 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.976 HD11 HD21 ' A' ' 70' ' ' LEU . 4.0 mm? -115.86 117.63 30.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.444 ' N ' HD12 ' A' ' 63' ' ' LEU . 7.7 t0 -139.17 -154.14 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.873 HD11 ' HG3' ' A' ' 47' ' ' PRO . 51.4 mt -90.25 -42.59 10.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.42 ' O ' HD23 ' A' ' 63' ' ' LEU . 88.1 p -85.02 39.57 0.77 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.71 ' O ' HD12 ' A' ' 32' ' ' LEU . 23.9 mt -144.55 109.12 4.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.942 ' HG2' HG12 ' A' ' 31' ' ' VAL . 14.4 mp0 -94.03 157.18 16.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.657 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 0.8 OUTLIER -63.34 -42.33 98.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 108.006 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 ptm85 -56.77 -15.97 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -111.64 -61.58 1.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.442 ' C ' ' ND2' ' A' ' 69' ' ' ASN . . . -56.78 -17.65 9.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.442 ' ND2' ' C ' ' A' ' 68' ' ' ALA . 5.2 p30 42.05 92.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.976 HD21 HD11 ' A' ' 59' ' ' LEU . 1.3 mt -103.88 162.48 19.81 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.614 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.98 172.37 16.5 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.575 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -43.42 -82.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.783 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 32.4 t-20 -61.84 -2.68 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 11' ' ' ALA . . . 23.23 89.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.913 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -94.26 116.1 28.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.913 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -111.75 150.45 30.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 3.8 pt-20 -101.53 133.38 46.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.246 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.454 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -90.31 128.03 36.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.593 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.8 m -139.86 137.18 18.04 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.858 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.01 132.95 15.98 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.926 HG22 ' H ' ' A' ' 82' ' ' SER . 7.9 p 160.3 -150.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.926 ' H ' HG22 ' A' ' 81' ' ' VAL . 56.9 p -131.82 172.57 12.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.439 ' HA ' ' OD2' ' A' ' 60' ' ' ASP . 19.7 mtp180 -47.81 116.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 62.3 p -85.92 125.41 33.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.051 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.506 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 4.3 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.76 ' HB3' ' HA ' ' A' ' 73' ' ' ASN . . . -147.24 140.19 25.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.007 ' CG1' HD21 ' A' ' 76' ' ' LEU . 2.7 t -119.22 143.28 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.734 ' O ' HD22 ' A' ' 76' ' ' LEU . 47.9 t -134.18 133.77 41.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.981 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.553 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.5 OUTLIER -119.92 117.52 53.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pp -103.02 109.75 21.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.922 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -83.29 130.74 55.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -74.95 -8.1 19.82 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.473 1.775 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 20' ' ' ARG . 45.8 p30 -79.55 4.31 16.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.78 15.75 48.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.922 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -114.38 114.29 25.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 110.323 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.35 116.18 30.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.553 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 20.7 p-80 -137.97 138.61 39.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.565 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 3.5 t -118.83 133.52 55.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.416 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.614 ' O ' ' O ' ' A' ' 12' ' ' VAL . 62.4 t -120.52 131.93 71.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.6 111.86 23.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.895 HG22 HG21 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -125.28 168.54 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.627 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -82.22 153.61 69.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.375 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.632 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.4 Cg_endo -75.0 -13.68 21.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.9 p -101.41 -3.02 29.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.77 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.8 m -88.68 139.95 29.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.955 HG11 HD23 ' A' ' 33' ' ' LEU . 13.0 t -77.45 132.97 31.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.616 HD11 HD11 ' A' ' 70' ' ' LEU . 1.8 mt -57.35 -21.4 35.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.955 HD23 HG11 ' A' ' 31' ' ' VAL . 1.6 pp -62.38 -44.81 95.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.77 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.0 OUTLIER -67.71 -40.74 84.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -72.26 -48.27 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.683 HD22 HD21 ' A' ' 61' ' ' LEU . 8.2 tt -58.7 -45.85 88.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 6.8 mm-40 -64.99 -38.31 90.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.592 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 4.8 m-20 -59.79 -54.27 48.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.641 HG23 ' OE1' ' A' ' 43' ' ' GLN . 5.3 t -66.11 -34.3 77.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.386 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.539 ' SG ' HD23 ' A' ' 36' ' ' LEU . 13.1 m -67.9 -36.53 80.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 108.331 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.569 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.38 -48.99 65.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.592 ' CD ' ' O ' ' A' ' 38' ' ' ASP . 0.3 OUTLIER -75.14 -37.46 61.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.641 ' OE1' HG23 ' A' ' 39' ' ' THR . 2.5 pt20 -91.37 4.06 53.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 40' ' ' CYS . 8.8 p-10 41.81 66.98 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.809 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.2 m-85 -127.65 159.29 35.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -121.1 145.39 41.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.849 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.03 -34.9 3.44 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.542 ' C ' ' O ' ' A' ' 81' ' ' VAL . 8.8 t -65.73 -8.4 20.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.613 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 18.4 mt-10 -123.05 -0.67 8.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.809 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 27.0 m-85 -146.83 139.35 24.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.678 ' HB2' HG12 ' A' ' 81' ' ' VAL . 6.6 m-20 -131.28 147.57 52.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.794 ' O ' ' N ' ' A' ' 59' ' ' LEU . 3.3 mp -121.68 133.9 54.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 57' ' ' THR . 2.2 ttpt -148.54 143.16 26.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.607 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -129.52 113.85 15.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.443 ' CG ' ' N ' ' A' ' 56' ' ' ARG . 5.5 tt0 60.09 -106.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.443 ' N ' ' CG ' ' A' ' 55' ' ' GLN . 3.1 mtm105 -110.64 14.81 22.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.5 ' HB ' ' CD2' ' A' ' 54' ' ' PHE . 8.7 m -118.78 128.19 54.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.481 ' O ' HD13 ' A' ' 63' ' ' LEU . 35.8 m -89.44 140.59 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.94 HD13 ' HB3' ' A' ' 76' ' ' LEU . 0.9 OUTLIER -116.03 120.04 37.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.47 ' OD2' ' CB ' ' A' ' 83' ' ' ARG . 9.0 t0 -139.66 -152.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.849 HD11 ' CG ' ' A' ' 47' ' ' PRO . 14.5 mt -90.34 -42.49 10.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 95.4 p -85.9 40.74 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.941 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.495 ' O ' HD12 ' A' ' 32' ' ' LEU . 34.7 mt -144.71 111.17 5.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.798 ' HG3' HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -93.67 157.16 16.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 110.311 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.864 ' CE3' HD12 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -63.43 -45.4 91.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 107.998 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -58.36 -14.17 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -103.67 -62.98 1.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -65.97 -11.7 49.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 65' ' ' TRP . 5.5 p-10 41.48 93.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.864 HD12 ' CE3' ' A' ' 65' ' ' TRP . 5.2 mt -95.39 161.19 28.74 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.686 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.96 172.46 16.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.771 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.619 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -40.71 -82.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.76 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 1.1 t-20 -65.13 -1.84 2.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.686 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 27.19 88.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.997 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -98.24 117.72 33.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.007 HD21 ' CG1' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -114.82 154.11 29.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -101.8 131.09 48.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.416 ' O ' ' HG3' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -85.9 134.77 33.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.612 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -146.1 136.05 11.85 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.838 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.97 132.89 15.97 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.924 HG22 ' H ' ' A' ' 82' ' ' SER . 8.8 p 161.17 -149.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.924 ' H ' HG22 ' A' ' 81' ' ' VAL . 51.8 p -133.58 174.12 10.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.47 ' CB ' ' OD2' ' A' ' 60' ' ' ASP . 1.0 OUTLIER -50.61 -41.34 54.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 t -174.63 170.38 3.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.571 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 60.8 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.747 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -146.5 144.2 29.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.962 HG22 HD21 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -118.72 131.52 71.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.891 ' O ' HD22 ' A' ' 76' ' ' LEU . 8.6 t -120.6 131.49 54.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.609 HG13 ' HB2' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -119.71 117.3 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.881 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -106.62 122.25 45.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -88.11 135.94 32.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.04 -8.58 20.16 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.406 ' OD1' ' C ' ' A' ' 18' ' ' ASN . 15.5 p30 -80.04 2.36 24.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.37 15.92 39.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.681 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 1.4 mtt180 -111.11 114.28 27.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 0.757 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.436 ' NE ' ' HB2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -110.38 119.99 40.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.537 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 10.2 p-80 -139.26 134.49 32.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.587 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 3.6 t -118.71 126.98 53.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.445 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.765 ' O ' ' O ' ' A' ' 12' ' ' VAL . 59.1 t -120.46 123.43 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.86 113.78 21.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.579 HG22 ' HB ' ' A' ' 12' ' ' VAL . 2.9 m -119.5 168.56 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.26 154.41 44.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.369 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.682 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.2 Cg_endo -75.05 -12.21 21.4 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 p -108.99 -2.91 17.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.528 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.5 m -88.7 140.23 29.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.425 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.927 HG12 ' HG2' ' A' ' 64' ' ' GLN . 5.2 m -77.28 128.82 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.527 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -56.81 -21.08 26.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.57 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.7 pp -63.51 -45.45 90.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.247 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.528 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.0 OUTLIER -67.67 -39.18 84.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -72.27 -49.87 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.511 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 11.2 tp -61.42 -43.05 99.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.57 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.6 mm-40 -61.63 -44.22 97.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.317 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.551 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -64.76 -54.28 33.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.576 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 89.1 m -57.19 -35.69 69.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.563 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 13.6 m -68.18 -36.52 79.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 108.307 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.561 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -67.33 -48.46 67.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.576 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -74.79 -37.34 62.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 110.306 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.578 ' CG ' ' HB2' ' A' ' 45' ' ' PHE . 5.6 pt20 -94.69 10.11 36.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 40' ' ' CYS . 1.7 p30 34.87 66.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.578 ' HB2' ' CG ' ' A' ' 43' ' ' GLN . 1.1 m-30 -126.41 159.28 33.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.439 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 0.8 OUTLIER -123.58 142.11 38.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.506 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.5 Cg_endo -74.93 -35.75 3.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.501 ' C ' ' O ' ' A' ' 81' ' ' VAL . 30.7 t -65.54 -8.43 19.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.973 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.605 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.8 mm-40 -123.6 -0.4 8.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.514 ' N ' ' O ' ' A' ' 81' ' ' VAL . 21.5 m-85 -146.94 139.38 24.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.683 ' N ' ' O ' ' A' ' 79' ' ' VAL . 5.2 m-20 -131.31 147.33 52.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.721 ' O ' ' N ' ' A' ' 59' ' ' LEU . 19.5 mt -121.69 137.21 54.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -148.68 143.16 26.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.46 ' CZ ' ' HG3' ' A' ' 71' ' ' PRO . 1.1 t80 -132.75 113.8 13.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 58.23 -107.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -110.56 14.85 22.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.6 m -119.92 133.07 55.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.515 ' C ' HD22 ' A' ' 59' ' ' LEU . 18.6 m -89.42 140.31 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.791 HD11 HD11 ' A' ' 70' ' ' LEU . 2.7 mm? -115.2 119.69 37.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.749 ' HB3' HD23 ' A' ' 63' ' ' LEU . 5.1 t0 -150.39 -149.43 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.506 HD11 ' CG ' ' A' ' 47' ' ' PRO . 0.8 OUTLIER -89.89 -42.25 11.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.77 ' C ' HD22 ' A' ' 63' ' ' LEU . 44.8 p -87.2 40.96 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.77 HD22 ' C ' ' A' ' 62' ' ' SER . 3.3 mm? -137.59 96.57 3.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.927 ' HG2' HG12 ' A' ' 31' ' ' VAL . 2.8 mp0 -82.83 147.0 28.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.682 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.4 t90 -63.34 -41.73 98.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 108.023 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -56.34 -16.05 4.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -112.32 -54.72 2.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -64.52 -17.47 63.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 69' ' ' ASN . 8.5 p-10 39.52 91.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.791 HD11 HD11 ' A' ' 59' ' ' LEU . 25.1 mt -98.41 159.93 29.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.643 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -74.98 172.51 16.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.781 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.638 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -35.05 -90.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.747 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -64.27 -1.96 1.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.643 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 28.63 92.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 1.024 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -90.41 124.62 35.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.024 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -118.23 151.73 37.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.541 ' HA ' HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -101.36 129.56 47.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.424 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -86.63 132.8 33.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.683 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.2 m -146.15 134.64 10.88 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.863 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.06 133.09 16.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.944 HG22 ' H ' ' A' ' 82' ' ' SER . 7.3 p 160.61 -152.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.944 ' H ' HG22 ' A' ' 81' ' ' VAL . 47.0 p -131.44 175.4 9.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.401 ' HA ' ' OD2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -56.41 133.62 53.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.5 t -96.39 94.05 7.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.469 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 28.9 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.754 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -145.25 143.47 30.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.75 HG22 HD21 ' A' ' 76' ' ' LEU . 1.1 t -118.93 143.63 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.879 ' O ' HD22 ' A' ' 76' ' ' LEU . 39.8 t -127.36 137.63 52.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.484 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.5 OUTLIER -119.79 117.54 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -104.18 109.64 21.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.893 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -83.69 131.37 52.37 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 16' ' ' ALA . 18.3 Cg_endo -75.02 -8.07 19.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.799 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.494 ' ND2' ' HB1' ' A' ' 16' ' ' ALA . 10.8 p30 -79.71 4.36 16.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.87 15.87 47.32 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.893 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 3.8 mmt85 -113.99 114.37 26.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.757 . . . . 0.0 110.26 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.38 116.02 30.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.484 ' O ' ' O ' ' A' ' 14' ' ' VAL . 11.8 p-80 -139.23 138.36 36.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.596 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.593 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 5.0 t -118.75 132.48 56.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.632 ' O ' ' O ' ' A' ' 12' ' ' VAL . 60.2 t -120.55 128.72 76.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 7.8 pttt -84.34 115.49 22.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 m -114.01 168.47 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.639 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -92.71 154.2 42.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.356 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.676 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.2 Cg_endo -74.98 -12.3 21.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.537 1.809 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.0 p -112.3 -5.69 14.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.45 HG23 ' HG2' ' A' ' 34' ' ' GLN . 2.1 m -88.81 140.15 29.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.365 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.967 HG11 HD23 ' A' ' 33' ' ' LEU . 16.9 t -77.35 145.23 10.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.612 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -68.48 -21.35 64.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.967 HD23 HG11 ' A' ' 31' ' ' VAL . 1.8 pp -60.3 -43.66 96.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.616 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.78 -39.52 84.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.616 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.46 -48.52 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.693 HD23 ' SG ' ' A' ' 40' ' ' CYS . 5.5 tt -58.65 -46.44 87.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 3.7 mm-40 -66.79 -39.26 87.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.622 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -60.04 -54.37 46.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.686 HG23 ' NE2' ' A' ' 43' ' ' GLN . 9.6 t -65.92 -34.28 77.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.693 ' SG ' HD23 ' A' ' 36' ' ' LEU . 13.2 m -67.49 -36.35 80.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 108.273 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.725 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.14 -48.62 67.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.725 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -75.2 -37.37 61.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.686 ' NE2' HG23 ' A' ' 39' ' ' THR . 3.3 pt20 -93.2 7.55 43.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 40' ' ' CYS . 3.8 p-10 38.24 67.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.77 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 m-85 -127.45 159.39 34.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -122.82 145.21 44.81 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.535 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.0 -34.86 3.5 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.5 1.789 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.501 ' C ' ' O ' ' A' ' 81' ' ' VAL . 7.7 t -65.2 -8.41 17.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.592 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.5 mm-40 -123.58 -0.87 8.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.77 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 20.8 m-85 -146.47 139.27 25.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.678 ' HB2' HG12 ' A' ' 81' ' ' VAL . 3.7 m-20 -131.46 147.27 52.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.787 ' O ' ' N ' ' A' ' 59' ' ' LEU . 1.8 mp -121.79 134.77 54.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -148.99 143.15 25.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.533 ' CE1' ' HG3' ' A' ' 55' ' ' GLN . 0.4 OUTLIER -129.67 113.76 15.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.533 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 21.1 mm-40 58.89 -106.27 0.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.3 mtt-85 -110.71 14.8 22.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.6 m -118.55 135.38 54.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.417 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.59 ' C ' HD22 ' A' ' 59' ' ' LEU . 4.2 m -91.08 140.4 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.787 ' N ' ' O ' ' A' ' 52' ' ' LEU . 2.6 mm? -117.87 118.0 30.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.699 ' CB ' HD23 ' A' ' 63' ' ' LEU . 1.1 t70 -146.44 -146.81 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.535 HD11 ' CG ' ' A' ' 47' ' ' PRO . 1.6 mt -90.18 -39.74 12.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.803 ' C ' HD22 ' A' ' 63' ' ' LEU . 39.4 p -87.42 40.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.803 HD22 ' C ' ' A' ' 62' ' ' SER . 3.1 mm? -132.9 99.4 4.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.899 ' HG3' HG13 ' A' ' 31' ' ' VAL . 11.7 mp0 -90.21 144.52 25.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.691 ' HA ' HD22 ' A' ' 70' ' ' LEU . 1.3 t90 -63.28 -39.32 94.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 108.009 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -60.63 -12.41 10.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -116.42 -62.22 1.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -60.2 -16.23 31.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 69' ' ' ASN . 8.2 p-10 40.91 87.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.691 HD22 ' HA ' ' A' ' 65' ' ' TRP . 0.4 OUTLIER -87.56 158.56 51.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.608 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.97 172.46 16.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.511 1.795 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.619 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -36.97 -89.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.754 ' C ' ' O ' ' A' ' 11' ' ' ALA . 2.4 t30 -64.65 -1.82 2.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.608 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 27.98 85.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 1.011 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -89.95 123.49 33.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.011 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -117.74 152.18 35.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 1.8 pt-20 -101.39 131.16 47.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.84 133.15 34.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.612 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.7 p -145.98 137.13 12.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.846 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.01 132.85 15.87 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.929 HG22 ' H ' ' A' ' 82' ' ' SER . 5.9 p 161.39 -154.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.929 ' H ' HG22 ' A' ' 81' ' ' VAL . 58.6 p -130.15 178.35 6.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.22 147.07 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.9 t -67.03 120.63 13.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.983 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.403 ' OG ' ' HD3' ' A' ' 28' ' ' PRO . 20.9 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.75 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.11 142.66 27.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.945 HG12 HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -118.91 131.72 70.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.734 ' O ' ' N ' ' A' ' 76' ' ' LEU . 8.9 t -118.43 129.76 55.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.693 HG13 ' HB2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -119.77 117.1 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.697 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -107.04 123.64 48.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -87.63 136.67 32.67 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.488 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.98 -8.42 20.08 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.54 1.811 . . . . 0.0 111.055 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.535 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 32.4 p-10 -79.97 -0.05 33.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.36 15.8 31.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.635 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -111.32 114.17 27.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 110.301 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.44 118.09 35.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.597 ' O ' ' O ' ' A' ' 14' ' ' VAL . 8.7 p-80 -139.13 138.02 36.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.655 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.496 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 2.4 t -118.72 129.74 55.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.377 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.67 ' O ' ' O ' ' A' ' 12' ' ' VAL . 97.0 t -120.38 123.37 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.13 113.05 25.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.731 HG22 ' CG2' ' A' ' 12' ' ' VAL . 1.1 m -118.04 168.58 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.494 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -84.04 154.48 63.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.689 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -75.01 -12.29 21.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.8 p -109.91 -2.01 17.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 110.043 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.407 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.2 m -88.83 140.32 29.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.366 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.637 HG12 ' CG ' ' A' ' 64' ' ' GLN . 3.9 m -77.2 129.56 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.787 HD12 ' O ' ' A' ' 63' ' ' LEU . 6.6 mt -58.74 -21.31 54.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.535 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.7 pp -62.2 -45.91 91.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.513 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.51 -39.73 85.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -72.09 -48.92 47.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.037 HD22 HD21 ' A' ' 61' ' ' LEU . 7.8 tt -58.52 -44.84 89.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.535 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.5 mm-40 -66.72 -38.62 87.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.55 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -59.99 -54.24 48.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.591 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 5.0 t -60.84 -34.49 74.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.379 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.529 ' O ' ' N ' ' A' ' 44' ' ' ASP . 9.2 m -68.17 -36.63 79.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 108.293 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.703 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.91 -48.59 65.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.703 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -75.11 -37.32 61.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.248 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.557 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 3.1 pt20 -93.49 7.23 45.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 40' ' ' CYS . 1.3 p30 38.87 67.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.822 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 m-85 -127.65 159.36 34.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -118.93 141.0 29.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.7 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -75.0 -34.21 4.0 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.554 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 39.2 t -65.01 -8.54 16.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.573 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 63.6 mt-10 -123.77 -1.78 8.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.822 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 20.1 m-85 -141.71 139.43 32.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.621 ' CG ' HG23 ' A' ' 81' ' ' VAL . 19.9 m-20 -131.24 147.42 52.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.772 ' O ' ' N ' ' A' ' 59' ' ' LEU . 3.6 mp -121.64 136.03 54.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 57' ' ' THR . 26.2 ttpt -146.61 140.15 25.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.582 ' CZ ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -129.42 113.86 15.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.472 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 2.9 mt-30 59.6 -107.96 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.55 14.4 22.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.456 ' HB ' ' CD2' ' A' ' 54' ' ' PHE . 13.9 m -119.15 133.25 55.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.5 ' C ' HD22 ' A' ' 59' ' ' LEU . 13.8 m -88.63 140.46 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.995 ' HG ' HD22 ' A' ' 76' ' ' LEU . 2.9 mm? -113.71 117.8 32.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -147.62 -159.97 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.037 HD21 HD22 ' A' ' 36' ' ' LEU . 10.7 mt -90.27 10.6 24.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.739 ' C ' HD22 ' A' ' 63' ' ' LEU . 5.2 p -132.41 34.91 3.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.978 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.787 ' O ' HD12 ' A' ' 32' ' ' LEU . 2.8 mm? -142.6 110.56 5.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.637 ' CG ' HG12 ' A' ' 31' ' ' VAL . 1.1 mp0 -94.13 148.37 22.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.735 ' CE3' HD23 ' A' ' 70' ' ' LEU . 1.2 t-105 -63.34 -40.36 97.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 108.033 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -57.36 -16.49 9.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -113.2 -52.85 2.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.408 ' C ' ' OD1' ' A' ' 69' ' ' ASN . . . -64.82 -20.71 66.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.438 ' C ' HD13 ' A' ' 70' ' ' LEU . 8.8 p-10 40.65 88.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.735 HD23 ' CE3' ' A' ' 65' ' ' TRP . 0.2 OUTLIER -91.51 159.87 37.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.644 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.1 Cg_endo -75.05 172.49 16.27 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.64 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -32.76 -93.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.75 ' C ' ' O ' ' A' ' 11' ' ' ALA . 1.9 t30 -64.86 -1.95 2.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.671 ' HB1' ' HB3' ' A' ' 70' ' ' LEU . . . 30.23 86.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.58 125.04 29.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.995 HD22 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -122.13 153.57 38.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.584 ' HA ' HD13 ' A' ' 15' ' ' LEU . 2.5 pt-20 -106.7 135.89 47.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.257 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.488 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -93.77 132.53 38.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.975 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.571 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.6 p -146.12 133.99 10.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.956 ' O ' HG13 ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.92 133.12 16.32 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.493 1.786 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.956 HG13 ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER 165.72 -161.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.554 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 48.4 t -118.42 163.33 16.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.003 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.426 ' CZ ' HD12 ' A' ' 61' ' ' LEU . 4.2 mtt-85 -37.02 109.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.333 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.7 p -53.35 99.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.415 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 37.4 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.745 ' HB3' ' HA ' ' A' ' 73' ' ' ASN . . . -147.06 140.11 25.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.274 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.771 HG22 HD21 ' A' ' 76' ' ' LEU . 1.2 t -118.81 139.76 45.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.723 ' O ' HD22 ' A' ' 76' ' ' LEU . 3.8 t -127.92 133.18 49.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.554 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.4 OUTLIER -119.84 117.39 53.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.403 ' HG ' ' HA ' ' A' ' 77' ' ' GLU . 1.3 pp -103.22 109.65 21.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.927 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -82.74 131.43 54.68 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.5 Cg_endo -74.95 -8.08 19.79 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.807 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 20' ' ' ARG . 47.0 p-10 -79.63 4.29 16.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.64 15.92 47.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.927 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 4.5 mtt-85 -114.9 114.35 25.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 0.778 . . . . 0.0 110.336 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.32 116.23 31.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 110.261 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.554 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 15.2 p-80 -138.99 138.42 37.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.607 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 30.5 p -118.72 131.4 56.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.62 ' O ' ' O ' ' A' ' 12' ' ' VAL . 54.0 t -120.47 135.84 59.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.75 139.38 37.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.63 HG13 ' HB ' ' A' ' 12' ' ' VAL . 16.2 m -136.71 168.45 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.128 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.931 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -102.67 154.19 37.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.931 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.4 Cg_endo -75.01 -12.17 21.48 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 p -113.86 -6.32 13.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.027 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.462 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.9 m -88.81 140.33 29.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.153 . . . . 0.0 110.374 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.749 HG12 ' CG ' ' A' ' 64' ' ' GLN . 3.3 m -77.36 141.95 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.871 HD13 HD12 ' A' ' 59' ' ' LEU . 23.5 mt -69.23 -21.44 63.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.521 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.9 pp -61.54 -41.84 97.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -67.69 -40.6 84.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.319 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -72.1 -45.65 61.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.472 HD23 ' SG ' ' A' ' 40' ' ' CYS . 6.5 tt -60.86 -46.76 89.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 7.7 mm-40 -63.75 -41.11 98.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.543 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.7 OUTLIER -63.33 -54.22 40.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.576 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 75.7 m -59.33 -34.72 72.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.382 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.551 ' O ' ' CA ' ' A' ' 44' ' ' ASP . 8.9 m -68.07 -36.42 79.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 108.275 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.796 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.55 -48.41 67.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.796 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -75.18 -37.39 61.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.549 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 4.2 pt20 -95.97 11.23 34.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.551 ' CA ' ' O ' ' A' ' 40' ' ' CYS . 4.1 p-10 34.22 68.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.756 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -127.15 159.42 34.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.434 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 2.9 m120 -122.29 142.5 37.07 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 50' ' ' TYR . 18.3 Cg_endo -74.96 -35.23 3.3 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.494 ' C ' ' O ' ' A' ' 81' ' ' VAL . 8.9 t -65.07 -8.55 16.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.002 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.661 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 5.1 mt-10 -123.86 -1.14 8.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.756 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 14.8 m-85 -143.42 139.48 29.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.629 ' N ' ' O ' ' A' ' 79' ' ' VAL . 8.9 m-20 -131.32 147.46 52.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.78 ' O ' ' N ' ' A' ' 59' ' ' LEU . 2.9 mp -121.61 134.1 55.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -147.67 141.56 25.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.466 ' HB3' ' CD2' ' A' ' 59' ' ' LEU . 2.1 t80 -131.09 113.7 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 59.14 -107.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -110.74 14.87 22.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.421 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 4.6 m -120.4 123.96 44.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.418 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.409 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 3.7 m -82.94 140.47 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.871 HD12 HD13 ' A' ' 32' ' ' LEU . 2.5 mm? -115.36 117.77 31.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.678 ' CB ' HD23 ' A' ' 63' ' ' LEU . 9.1 t0 -141.83 -145.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.0 mt -90.06 -38.23 13.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.801 ' C ' HD22 ' A' ' 63' ' ' LEU . 91.8 p -89.68 40.79 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.054 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.801 HD22 ' C ' ' A' ' 62' ' ' SER . 3.1 mm? -131.85 101.21 5.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.749 ' CG ' HG12 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -93.98 145.25 24.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.264 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.666 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.2 t90 -63.18 -39.88 95.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 108.014 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -58.78 -14.87 9.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -115.34 -66.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -52.37 -20.7 2.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.64 ' C ' HD13 ' A' ' 70' ' ' LEU . 7.7 p-10 42.32 92.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.64 HD13 ' C ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER -100.47 165.66 13.99 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.589 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -75.02 172.42 16.4 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.6 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -46.2 -78.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.745 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 1.4 m-20 -64.26 -2.75 2.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 11' ' ' ALA . . . 22.33 87.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 1.034 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -94.88 120.14 34.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.034 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -117.35 151.71 36.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 1.9 mt-10 -102.21 132.67 47.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.579 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -91.04 137.07 32.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 110.968 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.629 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.3 m -146.05 138.95 14.14 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.844 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -75.01 133.05 16.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.918 HG22 ' H ' ' A' ' 82' ' ' SER . 5.6 p 161.97 -162.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.918 ' H ' HG22 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -130.25 102.82 6.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' A' ' 82' ' ' SER . 2.1 mpt_? 58.83 147.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.45 88.78 7.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.928 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.573 ' OG ' ' CZ2' ' A' ' 65' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.763 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.18 142.31 27.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.889 ' CG1' HD21 ' A' ' 76' ' ' LEU . 4.7 t -119.46 145.37 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.565 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 40.3 t -134.17 134.38 42.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.032 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.456 ' CG1' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -119.89 117.71 54.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pp -103.08 109.7 21.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 1.064 ' HB1' ' OD1' ' A' ' 18' ' ' ASN . . . -83.78 131.52 51.66 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.43 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.97 -8.44 20.1 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.781 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 1.064 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 1.4 p-10 -79.98 6.78 10.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.87 16.02 55.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.891 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 2.4 mtt180 -112.84 114.22 26.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 110.354 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -110.46 116.02 30.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.431 ' O ' ' O ' ' A' ' 14' ' ' VAL . 32.9 p-80 -139.13 138.22 36.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.604 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.565 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 5.3 t -118.89 133.86 55.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.372 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.635 ' O ' ' O ' ' A' ' 12' ' ' VAL . 77.0 t -120.55 132.87 69.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.418 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -97.24 107.84 20.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.679 HG22 HG21 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -118.77 168.44 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.15 154.28 72.26 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.372 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.663 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -75.06 -12.21 21.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.2 p -106.78 1.36 24.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.976 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.563 HG23 ' HG2' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -88.8 140.1 29.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.386 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.611 HG12 ' CG ' ' A' ' 64' ' ' GLN . 6.8 m -77.5 130.43 36.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.586 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -57.04 -21.44 31.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.258 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.504 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.1 pp -63.44 -44.6 94.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.599 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.84 -38.63 83.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.599 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.35 -48.7 46.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.62 HD23 ' CD2' ' A' ' 61' ' ' LEU . 8.5 tp -60.86 -42.25 97.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 5.8 mm-40 -67.06 -38.73 86.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.565 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 6.5 m-20 -65.7 -54.42 27.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.56 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 12.6 t -64.13 -34.07 77.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.436 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.563 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 16.1 m -67.96 -36.55 80.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.323 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.566 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -66.37 -48.83 68.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.566 ' N ' ' CG ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -74.98 -37.3 61.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.563 ' HG2' ' HA ' ' A' ' 40' ' ' CYS . 4.0 pt20 -94.32 13.19 24.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 43' ' ' GLN . 2.8 p-10 31.81 69.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.779 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 0.9 OUTLIER -129.18 159.27 36.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.433 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 3.2 t30 -123.91 143.57 42.57 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.904 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.0 -34.91 3.46 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.548 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 13.2 t -64.9 -8.53 15.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.619 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 4.9 mm-40 -123.82 -2.36 8.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.779 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 12.7 m-85 -144.84 139.54 27.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.625 ' HB2' HG12 ' A' ' 81' ' ' VAL . 6.7 m-20 -131.31 147.36 52.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.815 ' O ' ' N ' ' A' ' 59' ' ' LEU . 1.5 mp -121.87 133.85 54.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 57' ' ' THR . 17.6 ttpt -149.13 142.42 25.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.594 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -128.4 113.81 16.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.435 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 15.9 mm-40 65.69 -110.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.8 mtm-85 -110.57 14.82 22.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 110.337 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.424 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 2.8 m -119.58 127.1 52.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.383 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.7 m -87.0 140.46 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.815 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -117.15 123.32 46.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.257 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.617 ' CB ' HD23 ' A' ' 63' ' ' LEU . 3.0 t0 -138.93 -147.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.904 HD11 ' HG3' ' A' ' 47' ' ' PRO . 78.9 mt -90.23 -39.42 12.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.464 ' O ' HD13 ' A' ' 63' ' ' LEU . 79.4 p -87.73 39.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.056 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.617 HD23 ' CB ' ' A' ' 60' ' ' ASP . 2.0 mm? -131.3 105.55 7.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.611 ' CG ' HG12 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -91.65 141.38 28.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.251 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.78 ' HZ3' HG22 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -61.04 -41.1 95.94 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.557 ' HG3' ' CD1' ' A' ' 67' ' ' PHE . 15.6 ptm180 -64.72 -7.89 12.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.557 ' CD1' ' HG3' ' A' ' 66' ' ' ARG . 7.2 m-30 -114.37 -59.13 2.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.11 -9.06 54.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.1 p30 41.08 89.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.566 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 0.1 OUTLIER -85.99 159.83 53.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.563 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.1 Cg_endo -75.02 172.47 16.3 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.469 1.773 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.628 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -42.3 -85.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.763 ' C ' ' O ' ' A' ' 11' ' ' ALA . 1.4 t-20 -63.0 -1.83 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.565 ' HB3' ' HA ' ' A' ' 12' ' ' VAL . . . 29.24 76.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 1.024 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -92.85 117.05 29.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.024 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -113.89 153.92 28.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -101.51 128.72 47.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.559 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -85.41 136.02 33.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.619 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.6 m -145.31 141.21 16.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.874 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.97 133.07 16.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.951 HG22 ' H ' ' A' ' 82' ' ' SER . 5.8 p 160.3 -159.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.347 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.951 ' H ' HG22 ' A' ' 81' ' ' VAL . 22.7 t -125.5 -173.09 2.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.49 -52.88 58.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 m -144.98 135.97 24.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.039 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.586 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 2.5 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.722 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -146.38 147.87 31.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.028 HG22 HD21 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -118.57 131.72 70.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.855 ' O ' HD22 ' A' ' 76' ' ' LEU . 9.2 t -119.86 130.36 54.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.179 . . . . 0.0 109.992 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.592 HG13 ' HB2' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -119.61 117.32 53.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.894 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -105.86 124.15 49.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.796 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -86.83 136.37 34.48 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.99 -8.18 19.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.541 1.811 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 20' ' ' ARG . 47.3 p30 -79.64 2.24 23.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.67 15.61 39.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.796 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 33.6 mtt-85 -115.9 114.3 24.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -110.3 125.95 53.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.097 . . . . 0.0 110.277 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.559 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 11.7 p-80 -139.13 136.56 35.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 0.0 109.607 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.528 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 4.6 t -118.76 125.66 50.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.728 ' O ' ' O ' ' A' ' 12' ' ' VAL . 50.4 t -120.46 123.47 70.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.85 114.41 21.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.541 HG22 ' HB ' ' A' ' 12' ' ' VAL . 3.5 m -118.42 168.48 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.51 154.15 48.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.377 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.655 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.4 Cg_endo -74.96 -12.37 21.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.487 1.783 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.0 p -107.84 -5.94 16.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.429 HG23 ' HG2' ' A' ' 34' ' ' GLN . 2.3 m -88.8 140.04 29.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.358 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.955 HG13 ' HG3' ' A' ' 64' ' ' GLN . 6.5 t -77.41 135.5 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.986 HD12 ' O ' ' A' ' 63' ' ' LEU . 5.3 mt -60.55 -21.28 62.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.712 HD23 HG11 ' A' ' 31' ' ' VAL . 1.1 pp -62.47 -45.34 93.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.653 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -67.38 -37.77 83.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.648 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -72.37 -50.16 37.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 13.8 tp -61.29 -39.45 90.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 5.4 mm-40 -66.0 -43.55 87.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.569 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 1.2 m-20 -63.28 -54.3 39.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.655 HG22 ' CD ' ' A' ' 43' ' ' GLN . 97.8 m -61.3 -34.55 75.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 44' ' ' ASP . 15.4 m -68.28 -36.71 79.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 108.252 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.566 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.88 -48.93 64.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.578 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -74.91 -37.35 62.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.655 ' CD ' HG22 ' A' ' 39' ' ' THR . 1.6 pt20 -90.69 2.22 56.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 40' ' ' CYS . 2.3 p-10 43.4 66.69 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.795 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.3 m-85 -128.44 159.19 36.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.46 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -123.53 143.77 42.44 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.646 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.0 -35.53 3.08 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.455 1.766 . . . . 0.0 110.972 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.51 ' C ' ' O ' ' A' ' 81' ' ' VAL . 45.1 t -65.41 -8.38 18.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.621 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 7.4 mt-10 -123.69 -1.39 8.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.795 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 14.3 m-85 -144.93 139.42 27.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.747 ' C ' HD13 ' A' ' 52' ' ' LEU . 7.5 m-20 -131.34 147.51 52.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.763 ' O ' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -121.71 134.34 54.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 57' ' ' THR . 1.9 tmmm? -146.69 142.7 28.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.483 ' O ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -134.28 113.74 12.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.464 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 2.8 mm-40 60.18 -109.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -110.6 14.81 22.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.41 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 1.3 m -120.4 127.34 52.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.409 ' C ' HD22 ' A' ' 59' ' ' LEU . 4.0 m -84.66 140.44 16.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.896 HD11 HD21 ' A' ' 70' ' ' LEU . 4.3 mm? -114.9 118.32 33.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.691 ' CB ' HD23 ' A' ' 63' ' ' LEU . 7.7 t0 -145.05 -148.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.646 HD11 ' CG ' ' A' ' 47' ' ' PRO . 5.1 mt -90.27 -39.27 12.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.788 ' C ' HD22 ' A' ' 63' ' ' LEU . 87.8 p -86.66 38.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.019 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.986 ' O ' HD12 ' A' ' 32' ' ' LEU . 3.2 mm? -134.05 106.28 7.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.955 ' HG3' HG13 ' A' ' 31' ' ' VAL . 11.8 mp0 -93.98 144.36 25.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.655 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.4 t90 -63.43 -40.65 97.74 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -56.76 -15.09 4.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.467 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 10.1 m-85 -114.49 -57.81 2.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 69' ' ' ASN . . . -60.14 -15.5 24.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 67' ' ' PHE . 6.2 p30 37.45 82.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.896 HD21 HD11 ' A' ' 59' ' ' LEU . 8.8 mt -86.59 161.43 48.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.617 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -75.01 172.53 16.19 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.672 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -37.59 -88.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.722 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -64.12 -1.78 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.669 ' HB3' HG23 ' A' ' 12' ' ' VAL . . . 26.58 86.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 1.039 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -88.4 127.62 35.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.039 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -121.99 153.88 37.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.571 ' HA ' HD13 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -102.85 130.71 49.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.678 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -87.88 134.56 33.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.633 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.5 m -146.13 136.15 11.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.872 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.97 133.01 16.12 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.945 HG22 ' H ' ' A' ' 82' ' ' SER . 6.3 p 160.02 -155.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.245 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.945 ' H ' HG22 ' A' ' 81' ' ' VAL . 72.8 p -126.53 176.15 7.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.433 ' HA ' ' OD2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -47.23 -59.22 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 75.4 m -131.0 135.56 47.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.476 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 57.8 m . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.73 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -142.67 149.43 38.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.724 ' CG2' HD11 ' A' ' 76' ' ' LEU . 0.6 OUTLIER -118.76 138.93 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.655 ' O ' ' N ' ' A' ' 76' ' ' LEU . 9.2 t -125.47 129.32 49.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.869 HG11 HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -119.75 117.22 53.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.851 HD22 ' C ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -107.55 120.97 43.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.765 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -84.57 135.42 40.83 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 16' ' ' ALA . 18.2 Cg_endo -75.01 -8.27 19.91 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.508 1.794 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.448 ' OD1' ' HB2' ' A' ' 20' ' ' ARG . 42.8 p30 -79.68 0.91 28.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.62 15.51 34.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.765 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 4.7 mmp_? -114.13 114.36 25.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.433 ' CG ' ' HB2' ' A' ' 15' ' ' LEU . 4.0 mtp180 -110.12 123.43 49.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.593 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 9.9 p-80 -139.18 136.28 34.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.58 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 4.0 t -118.71 125.56 49.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.675 ' O ' ' O ' ' A' ' 12' ' ' VAL . 60.3 t -120.31 123.39 70.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -83.7 107.69 16.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.532 HG22 ' HB ' ' A' ' 12' ' ' VAL . 3.8 m -106.7 167.06 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.923 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -92.07 153.93 43.3 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.923 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.4 Cg_endo -74.98 -12.46 21.57 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.445 1.761 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 p -112.97 -4.76 13.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.021 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.611 HG23 ' OE1' ' A' ' 34' ' ' GLN . 1.3 m -88.07 140.19 29.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.918 HG12 ' HG2' ' A' ' 64' ' ' GLN . 12.7 m -77.44 128.25 38.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.236 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.639 HD11 HD21 ' A' ' 70' ' ' LEU . 2.1 mt -57.08 -21.3 30.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.551 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.5 pp -62.1 -45.64 92.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.637 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.71 -37.95 82.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.637 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.8 OUTLIER -72.33 -50.17 37.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.655 HD23 HD23 ' A' ' 61' ' ' LEU . 16.6 tp -62.44 -37.7 86.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.551 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 6.8 mm-40 -65.89 -41.81 91.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.549 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 5.8 m-20 -64.5 -54.13 37.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.574 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 68.8 m -58.42 -35.56 72.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.419 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.515 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 18.9 m -68.24 -36.59 79.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 108.293 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.562 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 1.9 ptt180 -67.61 -48.64 66.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.574 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -74.93 -37.3 62.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.565 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 4.6 pt20 -95.78 13.06 27.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.513 ' C ' ' O ' ' A' ' 43' ' ' GLN . 0.9 OUTLIER 31.77 69.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CG ' ' HG3' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -127.56 159.36 34.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.426 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 0.5 OUTLIER -122.91 141.72 36.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.895 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.02 -35.04 3.35 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.48 1.779 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 81' ' ' VAL . 1.7 p -64.77 -8.62 15.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.969 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.597 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 2.9 mt-10 -123.71 -2.55 8.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.355 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.574 ' CD1' ' CE ' ' A' ' 78' ' ' MET . 21.3 m-85 -144.73 139.43 27.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.653 ' N ' ' O ' ' A' ' 79' ' ' VAL . 2.8 m-20 -131.17 147.25 52.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.869 HD23 HG11 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -121.81 134.65 54.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 57' ' ' THR . 2.5 ttmm -148.8 137.33 21.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.91 ' HB2' HD23 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -115.86 113.71 23.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.451 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 5.7 mm-40 56.78 -103.06 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.72 14.9 22.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.542 ' O ' ' N ' ' A' ' 54' ' ' PHE . 5.9 m -117.35 133.76 55.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.379 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.621 ' C ' HD22 ' A' ' 59' ' ' LEU . 26.4 m -91.73 140.59 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.866 ' HG ' HD22 ' A' ' 76' ' ' LEU . 3.9 mm? -120.34 119.66 33.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.497 ' N ' HD12 ' A' ' 63' ' ' LEU . 3.4 t0 -141.83 -153.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.895 HD11 ' CG ' ' A' ' 47' ' ' PRO . 8.2 mt -90.24 -40.54 12.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.6 p -86.16 39.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 60' ' ' ASP . 23.7 mt -144.19 108.29 4.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.918 ' HG2' HG12 ' A' ' 31' ' ' VAL . 7.3 mp0 -90.94 154.4 19.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.653 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.0 OUTLIER -62.9 -42.86 99.93 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -18.29 9.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -105.39 -64.87 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.462 ' C ' ' ND2' ' A' ' 69' ' ' ASN . . . -56.69 -18.87 13.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.566 ' C ' HD13 ' A' ' 70' ' ' LEU . 5.2 p30 42.3 93.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.639 HD21 HD11 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -98.85 159.14 31.06 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.638 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -74.98 172.55 16.14 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.801 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.644 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -35.0 -90.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.73 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -64.79 -1.99 2.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.638 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 27.88 85.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -84.13 121.34 27.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.91 HD23 ' HB2' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -122.13 154.05 37.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.691 ' HA ' HD13 ' A' ' 15' ' ' LEU . 6.6 mt-10 -106.87 141.23 38.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.574 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -92.7 135.64 33.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 111.023 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.653 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.5 p -146.13 135.42 11.39 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.817 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.05 132.82 15.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.923 HG22 ' H ' ' A' ' 82' ' ' SER . 6.3 p 162.77 -156.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.923 ' H ' HG22 ' A' ' 81' ' ' VAL . 12.2 p -130.64 -173.36 3.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.994 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.3 mtp-105 -58.18 100.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.57 132.94 46.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.004 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.338 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.734 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.05 146.71 30.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.71 ' O ' ' O ' ' A' ' 24' ' ' VAL . 1.1 t -118.79 149.39 21.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.78 ' O ' HD22 ' A' ' 76' ' ' LEU . 31.4 t -137.49 134.08 35.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.039 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.73 117.45 53.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pp -101.59 109.59 21.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.884 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -81.71 131.47 57.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -74.96 -8.57 20.24 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.55 1.816 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.488 ' ND2' ' HB1' ' A' ' 16' ' ' ALA . 11.6 p30 -80.11 4.46 17.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.11 15.83 46.68 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.884 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -112.35 114.3 26.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -110.33 116.21 31.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 14' ' ' VAL . 19.4 p-80 -138.64 138.78 38.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.596 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.682 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 14.8 p -118.65 130.61 55.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.397 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.71 ' O ' ' O ' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -120.56 134.43 64.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -76.83 127.37 32.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.557 ' CG1' ' N ' ' A' ' 27' ' ' THR . 2.7 t -121.74 167.43 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.557 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -110.57 154.27 43.18 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.412 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.622 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.2 Cg_endo -74.98 -12.32 21.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.535 1.808 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.9 p -114.87 -3.49 12.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.3 m -88.81 139.18 30.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.746 HG12 ' CG ' ' A' ' 64' ' ' GLN . 12.5 m -77.66 127.46 38.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.114 HD11 HD21 ' A' ' 70' ' ' LEU . 7.2 mt -57.02 -21.36 30.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.518 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.3 pp -64.51 -44.64 90.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.654 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.81 -38.06 82.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.264 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.654 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.48 -49.81 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.77 HD22 ' CD2' ' A' ' 61' ' ' LEU . 6.1 tt -61.35 -42.75 99.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.8 mm-40 -65.64 -38.67 90.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.586 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -59.8 -54.23 48.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.657 HG23 ' NE2' ' A' ' 43' ' ' GLN . 12.3 t -61.91 -34.41 76.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.559 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 8.5 m -67.94 -36.42 80.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 108.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.559 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -66.48 -48.8 68.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.586 ' CD ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -75.13 -37.37 61.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.657 ' NE2' HG23 ' A' ' 39' ' ' THR . 5.1 pt20 -95.13 11.25 32.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 40' ' ' CYS . 3.4 p-10 34.31 68.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.837 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -126.79 159.28 34.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 18.4 m120 -121.36 144.61 40.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.349 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.718 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -74.98 -36.52 2.51 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.516 ' C ' ' O ' ' A' ' 81' ' ' VAL . 10.2 t -63.21 -8.59 8.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.634 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 69.0 mt-10 -123.7 0.59 8.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.837 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 14.8 m-85 -146.97 139.45 24.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.614 ' HB2' HG12 ' A' ' 81' ' ' VAL . 7.0 m-20 -131.21 147.63 52.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.779 ' O ' ' N ' ' A' ' 59' ' ' LEU . 13.2 mt -121.58 133.9 55.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 4.0 ttpt -146.57 143.12 28.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.245 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.515 ' CE2' ' HD3' ' A' ' 71' ' ' PRO . 0.1 OUTLIER -129.38 113.84 15.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.426 ' CG ' ' N ' ' A' ' 56' ' ' ARG . 7.8 tt0 59.1 -106.89 0.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.426 ' N ' ' CG ' ' A' ' 55' ' ' GLN . 7.7 mmp_? -110.58 14.8 22.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.403 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 18.8 m -119.08 130.68 55.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.361 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.444 ' O ' HD13 ' A' ' 63' ' ' LEU . 33.3 m -88.96 140.48 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.779 ' N ' ' O ' ' A' ' 52' ' ' LEU . 4.0 mm? -116.87 119.68 36.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.418 ' OD2' ' HA ' ' A' ' 83' ' ' ARG . 10.1 t0 -141.38 -154.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.77 ' CD2' HD22 ' A' ' 36' ' ' LEU . 3.4 mt -90.18 -41.62 11.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.132 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.489 ' O ' HD23 ' A' ' 63' ' ' LEU . 80.8 p -84.2 39.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.608 ' O ' HD12 ' A' ' 32' ' ' LEU . 37.6 mt -144.72 108.9 4.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.746 ' CG ' HG12 ' A' ' 31' ' ' VAL . 20.0 mp0 -93.98 156.46 16.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.691 ' HA ' HD22 ' A' ' 70' ' ' LEU . 1.1 t90 -63.26 -43.76 97.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 107.989 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -15.22 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -112.19 -62.44 1.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.45 ' C ' ' ND2' ' A' ' 69' ' ' ASN . . . -60.9 -15.96 36.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.511 ' C ' HD13 ' A' ' 70' ' ' LEU . 4.5 p30 41.7 92.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.247 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.114 HD21 HD11 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -96.86 159.57 31.23 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.6 ' O ' ' HB2' ' A' ' 74' ' ' ALA . 18.5 Cg_endo -74.97 172.38 16.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.782 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.681 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -40.37 -86.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.734 ' C ' ' O ' ' A' ' 11' ' ' ALA . 2.0 t30 -62.79 -1.86 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 71' ' ' PRO . . . 25.24 84.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.87 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -92.51 118.21 30.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.87 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -112.33 153.28 27.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 3.7 pt-20 -101.33 129.71 47.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.406 ' O ' ' HG3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -85.34 132.73 34.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.612 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.4 m -146.13 137.7 13.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.87 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.95 132.95 16.08 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.518 1.799 . . . . 0.0 111.034 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.93 HG22 ' H ' ' A' ' 82' ' ' SER . 6.2 p 159.9 -153.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.93 ' H ' HG22 ' A' ' 81' ' ' VAL . 23.8 p -129.44 174.91 9.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.664 ' NE ' HD12 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -49.05 137.02 13.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.7 80.9 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.291 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.719 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -146.54 140.13 25.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.006 HG12 HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -119.3 143.94 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.969 ' O ' HD22 ' A' ' 76' ' ' LEU . 29.5 t -129.85 136.99 50.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.487 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.77 117.54 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.743 HD21 ' CD ' ' A' ' 77' ' ' GLU . 1.3 pp -102.98 109.77 21.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.931 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -83.43 130.99 54.18 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.417 ' HG3' ' O ' ' A' ' 78' ' ' MET . 18.6 Cg_endo -74.94 -8.21 19.92 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.454 1.765 . . . . 0.0 111.06 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.526 ' ND2' ' HB1' ' A' ' 16' ' ' ALA . 10.2 p30 -79.8 4.47 16.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.79 15.85 47.68 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.931 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 1.8 mmt180 -114.34 114.49 25.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.275 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -110.11 115.82 30.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.487 ' O ' ' O ' ' A' ' 14' ' ' VAL . 13.7 p-80 -139.36 138.64 36.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.575 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.615 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 5.6 t -118.7 134.09 55.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.622 ' O ' ' O ' ' A' ' 12' ' ' VAL . 53.8 t -120.44 131.47 72.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.31 119.18 32.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.687 HG22 ' CG2' ' A' ' 12' ' ' VAL . 1.0 OUTLIER -128.71 168.42 21.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.719 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -82.94 154.11 67.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.719 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.3 Cg_endo -74.96 -12.29 21.6 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.8 p -106.43 -1.43 23.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.451 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.5 m -88.38 140.24 29.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.547 HG12 ' CG ' ' A' ' 64' ' ' GLN . 5.0 m -77.29 128.94 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.987 HD12 ' O ' ' A' ' 63' ' ' LEU . 4.8 mt -56.88 -21.44 29.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.525 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.7 pp -62.23 -44.45 96.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.64 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.75 -38.33 83.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 110.319 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.64 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.32 -48.41 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.657 HD23 ' SG ' ' A' ' 40' ' ' CYS . 6.2 tt -59.81 -46.57 88.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.1 mm-40 -63.85 -38.77 92.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.564 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 4.7 m-20 -63.1 -54.21 41.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.577 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 1.7 p -62.73 -34.37 77.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 110.428 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.657 ' SG ' HD23 ' A' ' 36' ' ' LEU . 14.0 m -67.7 -36.44 80.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 108.273 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.564 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.56 -48.9 65.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.577 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -75.05 -37.38 61.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.554 ' CG ' ' HB2' ' A' ' 45' ' ' PHE . 2.7 pt20 -93.88 7.92 43.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 40' ' ' CYS . 6.4 p-10 37.16 67.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.718 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 m-85 -127.64 159.31 35.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 3.3 m-80 -121.65 143.57 38.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.554 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.0 -34.63 3.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.503 ' C ' ' O ' ' A' ' 81' ' ' VAL . 42.1 t -65.98 -8.44 22.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.622 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 1.6 mm-40 -123.66 0.51 8.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.718 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 17.2 m-85 -147.46 139.36 24.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.656 ' N ' ' O ' ' A' ' 79' ' ' VAL . 5.2 m-20 -131.33 147.23 52.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.785 ' O ' ' N ' ' A' ' 59' ' ' LEU . 2.3 mp -121.82 136.59 54.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -148.68 137.05 21.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.549 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -124.08 113.8 18.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 110.985 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.453 ' CG ' ' N ' ' A' ' 56' ' ' ARG . 0.6 OUTLIER 58.84 -107.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.453 ' N ' ' CG ' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -110.61 14.82 22.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.521 ' HB ' ' CD2' ' A' ' 54' ' ' PHE . 12.0 m -120.28 125.88 49.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.356 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.563 ' C ' HD22 ' A' ' 59' ' ' LEU . 2.6 m -82.49 140.49 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 1.039 HD11 HD21 ' A' ' 70' ' ' LEU . 1.3 mm? -114.45 117.62 31.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.517 ' CB ' HD23 ' A' ' 63' ' ' LEU . 7.4 t0 -144.12 -149.41 0.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.554 HD11 ' CG ' ' A' ' 47' ' ' PRO . 3.2 mt -90.32 -38.76 13.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.507 ' O ' HD13 ' A' ' 63' ' ' LEU . 61.8 p -88.58 39.43 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.014 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.987 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.6 mm? -134.35 106.84 7.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.547 ' CG ' HG12 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -94.14 141.71 28.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.642 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.0 OUTLIER -63.33 -39.85 95.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 108.003 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.579 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 6.2 ptp180 -56.79 -21.9 32.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.579 ' CD2' ' HG3' ' A' ' 66' ' ' ARG . 23.1 m-85 -108.67 -54.65 2.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.16 -17.25 51.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 67' ' ' PHE . 5.3 p30 41.14 86.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.039 HD21 HD11 ' A' ' 59' ' ' LEU . 2.8 mp -88.29 161.98 41.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.593 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -75.03 172.34 16.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.45 1.763 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.613 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -42.57 -82.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.719 ' C ' ' O ' ' A' ' 11' ' ' ALA . 17.6 m-20 -65.57 -1.76 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.643 ' O ' ' HA ' ' A' ' 12' ' ' VAL . . . 25.76 86.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.877 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -93.43 118.87 31.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.006 HD21 HG12 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -112.08 152.0 28.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.743 ' CD ' HD21 ' A' ' 15' ' ' LEU . 3.1 mm-40 -104.41 126.63 51.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.64 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -85.35 135.01 34.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.656 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.7 p -146.02 138.55 13.82 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.879 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.5 Cg_endo -74.92 133.0 16.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.542 1.812 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.932 HG22 ' H ' ' A' ' 82' ' ' SER . 5.9 p 159.78 -154.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.932 ' H ' HG22 ' A' ' 81' ' ' VAL . 25.0 p -129.87 177.39 7.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.028 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -47.11 -49.48 21.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.5 t -156.98 78.85 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.032 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.562 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 71.5 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.739 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -145.76 145.69 30.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.807 HG22 HD21 ' A' ' 76' ' ' LEU . 1.2 t -120.43 142.95 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.724 ' O ' HD22 ' A' ' 76' ' ' LEU . 22.6 t -130.49 134.21 46.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.974 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.54 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.3 OUTLIER -119.7 117.4 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -102.59 109.53 21.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.918 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -83.35 132.09 51.02 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -7.56 19.28 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.622 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 4.8 p30 -79.17 6.13 10.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.15 15.85 55.01 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.918 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -116.22 114.31 24.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 0.739 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.1 116.41 31.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.54 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 7.7 p-80 -138.79 138.32 37.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.558 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.606 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 2.8 t -118.68 134.37 55.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.561 ' O ' ' O ' ' A' ' 12' ' ' VAL . 60.7 t -120.57 132.31 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.14 118.64 24.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 m -123.17 168.41 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.347 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.59 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -91.77 154.14 43.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.363 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.692 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -75.0 -12.43 21.51 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.436 1.756 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 p -108.6 -3.68 17.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.972 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.685 HG23 ' HG2' ' A' ' 34' ' ' GLN . 2.0 m -88.73 139.74 30.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.428 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.761 HG13 ' CG ' ' A' ' 64' ' ' GLN . 10.6 t -77.9 132.06 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.558 ' O ' HG22 ' A' ' 35' ' ' VAL . 2.9 mm? -56.94 -21.25 28.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.747 HD23 HG11 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -63.1 -46.38 87.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.685 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.0 OUTLIER -66.18 -39.33 89.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.138 . . . . 0.0 110.29 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -72.07 -50.18 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.561 HD23 ' CD2' ' A' ' 61' ' ' LEU . 13.5 tp -61.35 -38.76 88.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 5.4 mm-40 -65.55 -42.53 91.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.542 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 6.2 m-20 -61.31 -54.16 47.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.78 HG22 ' CD ' ' A' ' 43' ' ' GLN . 47.2 m -62.45 -35.42 79.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 44' ' ' ASP . 16.5 m -68.28 -36.49 79.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 108.336 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.784 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.95 -48.68 65.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.784 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -75.09 -37.17 61.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.322 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.78 ' CD ' HG22 ' A' ' 39' ' ' THR . 1.6 pt20 -91.49 3.49 54.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 40' ' ' CYS . 0.7 OUTLIER 42.21 67.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.802 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.2 m-85 -128.25 159.4 35.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.932 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.418 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 3.5 m120 -122.25 145.05 43.22 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.891 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.3 Cg_endo -75.04 -34.92 3.42 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.788 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.498 ' C ' ' O ' ' A' ' 81' ' ' VAL . 7.9 t -65.89 -8.46 22.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.028 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.625 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 21.9 mt-10 -123.58 -0.21 8.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.802 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 23.8 m-85 -146.03 139.36 26.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.668 ' N ' ' O ' ' A' ' 79' ' ' VAL . 5.0 m-20 -131.39 147.58 52.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.798 ' O ' ' N ' ' A' ' 59' ' ' LEU . 8.9 mt -121.59 134.56 55.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 57' ' ' THR . 29.2 ttpt -148.83 143.26 26.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.58 ' CZ ' ' HG3' ' A' ' 71' ' ' PRO . 1.0 OUTLIER -128.47 113.85 16.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 111.009 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.55 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 5.4 mm-40 58.42 -105.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 69.0 mtt85 -110.57 14.61 22.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 54' ' ' PHE . 6.0 m -118.45 132.24 56.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.392 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.427 ' O ' HD13 ' A' ' 63' ' ' LEU . 35.8 m -89.91 140.56 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.798 ' N ' ' O ' ' A' ' 52' ' ' LEU . 3.3 mm? -117.36 119.45 35.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -142.2 -155.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.891 HD11 ' HG3' ' A' ' 47' ' ' PRO . 56.8 mt -90.2 -39.61 12.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.455 ' O ' HD23 ' A' ' 63' ' ' LEU . 96.4 p -84.6 38.6 0.7 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 109.941 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 62' ' ' SER . 32.5 mt -144.77 110.55 5.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.761 ' CG ' HG13 ' A' ' 31' ' ' VAL . 2.2 mt-30 -92.87 153.73 18.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.692 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 0.7 OUTLIER -63.45 -40.06 96.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 108.004 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.461 ' HG3' ' CD2' ' A' ' 67' ' ' PHE . 10.2 ptm180 -56.09 -27.98 55.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.256 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.461 ' CD2' ' HG3' ' A' ' 66' ' ' ARG . 26.0 m-85 -102.1 -60.62 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.943 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -56.43 -17.4 7.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 68' ' ' ALA . 5.6 p30 42.84 94.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.501 HD11 HD11 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -101.19 160.27 27.12 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.641 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -75.02 172.46 16.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.535 1.808 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.599 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.6 OUTLIER -42.1 -82.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.739 ' C ' ' O ' ' A' ' 11' ' ' ALA . 76.2 m-20 -65.26 -1.71 2.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.641 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 27.56 86.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.945 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -92.05 119.07 31.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.945 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -116.29 150.06 38.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 52' ' ' LEU . 2.4 pt-20 -101.35 132.79 46.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.279 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.85 132.9 34.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.668 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -145.99 134.9 11.12 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.845 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.03 133.03 16.06 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.464 1.771 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.932 HG22 ' H ' ' A' ' 82' ' ' SER . 6.2 p 161.76 -155.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.932 ' H ' HG22 ' A' ' 81' ' ' VAL . 3.9 p -129.45 165.61 21.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.014 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -42.48 143.19 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.9 p -73.84 168.07 20.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.694 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.31 140.06 24.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.974 ' CG1' HD21 ' A' ' 76' ' ' LEU . 16.6 t -119.0 142.76 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.698 ' O ' HD22 ' A' ' 76' ' ' LEU . 7.3 t -137.4 127.18 25.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.565 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -119.48 117.24 53.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.924 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -108.43 120.44 42.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.711 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -87.37 135.72 34.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.112 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.508 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.05 -8.51 20.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.799 . . . . 0.0 110.955 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.557 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 30.1 p-10 -80.0 0.0 33.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.05 15.99 31.69 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.711 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 11.9 mmt180 -112.22 114.2 26.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 0.721 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.665 ' NH2' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -110.55 123.19 49.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.565 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 9.6 p-80 -139.16 136.79 35.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.624 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.493 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 5.4 t -118.87 126.74 52.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.432 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.768 ' O ' ' O ' ' A' ' 12' ' ' VAL . 82.2 t -120.58 138.01 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -103.3 115.52 30.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.356 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.628 HG22 HG21 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -129.15 168.42 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.653 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -84.16 154.58 63.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.376 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.653 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.6 Cg_endo -74.94 -12.43 21.64 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.547 1.814 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 p -104.15 -2.0 26.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.408 HG23 ' HG2' ' A' ' 34' ' ' GLN . 1.9 m -88.72 140.41 29.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.428 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.619 HG12 ' CG ' ' A' ' 64' ' ' GLN . 10.7 m -77.08 128.84 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.959 HD13 HD12 ' A' ' 59' ' ' LEU . 14.8 mt -56.79 -21.34 27.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.524 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.8 pp -63.42 -45.54 90.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.587 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.85 -38.2 82.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.587 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.8 OUTLIER -72.15 -50.03 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.55 HD23 HD23 ' A' ' 61' ' ' LEU . 12.8 tp -60.79 -37.6 82.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.8 mm-40 -66.03 -43.23 88.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.523 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 9.7 m-20 -63.17 -54.14 42.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.55 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 25.5 p -59.24 -37.91 78.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.518 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 17.4 m -68.24 -36.61 79.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 108.313 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.555 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -66.41 -48.79 68.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.555 ' N ' ' CG ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -73.4 -37.12 66.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 110.304 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.541 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 1.7 pt20 -95.46 13.21 26.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.5 ' C ' ' O ' ' A' ' 43' ' ' GLN . 4.0 p-10 33.15 70.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.696 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -128.29 159.24 35.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.055 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.416 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 3.5 t30 -123.46 143.01 40.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.805 ' HG3' HD11 ' A' ' 61' ' ' LEU . 18.2 Cg_endo -75.05 -35.87 2.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.563 1.822 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.599 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 8.0 t -62.24 -8.69 6.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.57 ' C ' ' O ' ' A' ' 81' ' ' VAL . 2.8 mm-40 -123.82 -6.42 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.696 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 15.9 m-85 -140.03 139.26 35.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.674 ' N ' ' O ' ' A' ' 79' ' ' VAL . 0.8 OUTLIER -131.54 147.51 52.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.362 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.803 ' O ' ' N ' ' A' ' 59' ' ' LEU . 8.8 mt -121.57 133.8 55.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -147.19 139.4 24.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.572 ' HB3' HD21 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -126.03 113.68 17.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.483 ' OE1' ' CE1' ' A' ' 54' ' ' PHE . 67.7 mt-30 57.96 -106.4 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.76 14.89 22.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.455 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 1.4 m -120.6 122.29 40.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.365 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.412 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 3.8 m -82.2 140.43 16.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.959 HD12 HD13 ' A' ' 32' ' ' LEU . 3.3 mm? -115.98 119.79 37.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.544 ' CB ' HD23 ' A' ' 63' ' ' LEU . 4.9 t70 -145.28 -152.71 0.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.805 HD11 ' HG3' ' A' ' 47' ' ' PRO . 96.1 mt -90.19 -19.23 24.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.853 ' C ' HD22 ' A' ' 63' ' ' LEU . 83.4 p -105.31 39.93 1.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 110.056 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.853 HD22 ' C ' ' A' ' 62' ' ' SER . 3.3 mm? -138.19 106.09 5.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.619 ' CG ' HG12 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -94.22 141.81 28.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.277 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.747 ' HZ3' HG22 ' A' ' 12' ' ' VAL . 1.2 t90 -63.4 -41.26 98.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 107.984 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -58.13 -14.97 7.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.255 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.436 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 19.8 m-85 -116.88 -60.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 64' ' ' GLN . . . -59.14 -14.52 10.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 67' ' ' PHE . 4.7 p30 42.33 92.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.577 HD21 HD11 ' A' ' 32' ' ' LEU . 1.7 mp -91.87 164.48 23.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.576 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -75.03 172.13 16.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.599 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -47.27 -78.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.694 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -65.16 -1.89 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.726 ' HB2' ' CH2' ' A' ' 65' ' ' TRP . . . 31.86 83.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 1.049 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -96.03 123.71 39.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.049 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -121.5 153.86 37.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.596 ' HA ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -103.09 132.81 49.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.508 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -86.87 132.01 33.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.674 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.2 p -146.12 134.55 10.85 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.084 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.993 ' O ' HG13 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.04 132.98 15.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.776 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.993 HG13 ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER 163.02 -161.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.599 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 15.2 m -114.26 164.95 13.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.428 ' O ' ' CB ' ' A' ' 84' ' ' SER . 3.2 ptt85 -37.72 109.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 83' ' ' ARG . 0.1 OUTLIER 80.19 -63.15 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.033 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.557 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 55.2 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.739 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.09 143.1 28.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.8 ' O ' ' O ' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -118.76 131.51 71.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.718 ' O ' HD22 ' A' ' 76' ' ' LEU . 10.0 t -121.74 129.42 52.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.612 HG11 HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -119.5 117.21 53.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.883 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -106.84 124.14 49.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -89.31 136.66 29.79 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.2 Cg_endo -75.05 -8.25 19.85 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.508 ' OD1' ' CB ' ' A' ' 16' ' ' ALA . 25.4 p30 -79.79 0.65 29.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.91 16.04 34.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.11 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.654 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -112.03 114.28 27.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 110.308 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.4 121.25 44.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.577 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 12.5 p-80 -139.21 135.97 34.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.629 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 3.3 t -118.76 124.91 48.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.8 ' O ' ' O ' ' A' ' 12' ' ' VAL . 58.5 t -120.44 127.34 75.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -77.37 132.41 38.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.552 HG22 ' HB ' ' A' ' 12' ' ' VAL . 5.0 m -132.38 168.5 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.523 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -103.13 154.53 37.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 110.373 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.687 ' HA ' ' CG ' ' A' ' 65' ' ' TRP . 18.5 Cg_endo -74.99 -12.25 21.53 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.481 1.78 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.4 p -112.03 -5.84 14.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.028 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 m -88.76 140.37 29.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 110.365 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.961 HG12 ' HG2' ' A' ' 64' ' ' GLN . 17.4 m -77.2 129.32 37.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.92 HD11 HD21 ' A' ' 70' ' ' LEU . 8.6 mt -59.99 -21.39 61.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.538 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.9 pp -62.41 -44.09 97.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.628 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.74 -38.33 83.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.628 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -72.39 -48.72 46.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.493 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 9.9 tp -62.08 -40.87 97.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.6 mm-40 -64.8 -42.04 95.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.539 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 19.3 m-20 -63.81 -54.24 38.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.584 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 89.6 m -58.48 -34.48 70.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.418 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.558 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 14.5 m -68.11 -36.52 79.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 108.278 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.558 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.78 -48.79 65.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.584 ' CG ' ' HA ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -74.83 -37.44 62.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.313 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.575 ' CG ' ' HB2' ' A' ' 45' ' ' PHE . 4.0 pt20 -93.88 8.02 42.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 110.34 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 40' ' ' CYS . 3.4 p-10 37.08 67.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.575 ' HB2' ' CG ' ' A' ' 43' ' ' GLN . 1.1 m-85 -126.88 159.3 34.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 111.03 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.434 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 7.0 m-20 -122.99 141.77 36.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.728 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.1 Cg_endo -75.09 -35.83 2.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.493 1.786 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.574 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 5.6 t -64.24 -8.54 12.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.596 ' C ' ' H ' ' A' ' 81' ' ' VAL . 2.0 mm-40 -123.98 -3.54 8.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.653 ' CD1' ' CE ' ' A' ' 78' ' ' MET . 22.5 m-85 -142.07 139.55 32.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.624 ' N ' ' O ' ' A' ' 79' ' ' VAL . 18.5 m-20 -131.36 147.58 52.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.8 ' O ' ' N ' ' A' ' 59' ' ' LEU . 9.3 mt -121.55 133.83 55.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 57' ' ' THR . 21.5 ttpt -149.0 143.13 25.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 57' ' ' THR . 0.4 OUTLIER -127.63 113.84 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.99 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.493 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 19.5 tt0 58.45 -105.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.493 ' N ' ' HG2' ' A' ' 55' ' ' GLN . 62.0 mtt85 -110.6 14.8 22.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 54' ' ' PHE . 5.3 m -118.54 130.54 55.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.382 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.466 ' O ' HD13 ' A' ' 63' ' ' LEU . 29.8 m -90.13 140.59 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.8 ' N ' ' O ' ' A' ' 52' ' ' LEU . 3.3 mm? -118.28 119.15 33.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.4 ' N ' HD12 ' A' ' 63' ' ' LEU . 3.4 t70 -142.71 -153.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.728 HD11 ' CG ' ' A' ' 47' ' ' PRO . 4.1 mt -90.19 -41.43 11.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.455 ' O ' HD23 ' A' ' 63' ' ' LEU . 75.1 p -83.73 38.32 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.022 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.466 HD13 ' O ' ' A' ' 58' ' ' VAL . 22.8 mt -145.84 107.31 4.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.961 ' HG2' HG12 ' A' ' 31' ' ' VAL . 24.8 mp0 -92.94 157.63 16.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.687 ' CG ' ' HA ' ' A' ' 28' ' ' PRO . 1.1 t90 -63.51 -40.47 97.14 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.425 ' HD2' ' CE2' ' A' ' 67' ' ' PHE . 4.1 ptp85 -56.14 -16.17 4.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.313 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.425 ' CE2' ' HD2' ' A' ' 66' ' ' ARG . 28.2 m-85 -115.06 -60.51 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.445 ' C ' ' ND2' ' A' ' 69' ' ' ASN . . . -57.03 -18.36 13.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.544 ' C ' HD13 ' A' ' 70' ' ' LEU . 5.3 p30 41.73 92.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.92 HD21 HD11 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -100.3 157.97 32.83 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.648 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -75.03 172.52 16.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.471 1.774 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.668 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -35.42 -90.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.739 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -64.13 -1.91 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.648 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 28.61 89.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.988 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -90.17 120.1 31.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.988 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -115.69 153.12 31.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 0.0 109.265 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.608 ' HA ' HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -102.07 130.27 48.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.653 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -88.02 132.3 34.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.624 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.8 p -146.19 136.95 12.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 1.018 ' O ' HG13 ' A' ' 81' ' ' VAL . 18.2 Cg_endo -74.95 133.0 16.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.471 1.774 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 1.018 HG13 ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER 162.81 -163.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.574 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 65.7 p -108.03 173.29 6.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 82' ' ' SER . 11.7 mtp85 -34.89 -38.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 87.0 p -162.31 145.19 11.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.77 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -147.27 141.62 26.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.034 HG12 HD21 ' A' ' 76' ' ' LEU . 2.5 t -119.0 140.51 42.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.758 ' O ' HD22 ' A' ' 76' ' ' LEU . 8.1 t -133.81 128.44 34.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.971 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.478 ' O ' ' O ' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -119.78 117.45 53.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.345 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.84 HD22 ' C ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -107.01 119.99 40.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -86.35 136.11 35.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.152 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.483 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.3 Cg_endo -75.0 -8.57 20.19 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.507 ' OD1' ' HB1' ' A' ' 16' ' ' ALA . 29.3 p30 -80.1 1.05 29.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.65 16.13 34.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.631 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -110.3 114.2 27.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.46 119.2 38.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.478 ' O ' ' O ' ' A' ' 14' ' ' VAL . 11.5 p-80 -139.27 138.28 36.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.571 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 5.6 t -118.83 127.64 53.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.384 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.733 ' O ' ' O ' ' A' ' 12' ' ' VAL . 89.0 t -120.41 132.38 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -97.72 114.39 26.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.922 HG22 HG21 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -124.14 168.35 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.497 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -84.33 154.44 62.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.43 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.654 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 18.3 Cg_endo -74.94 -12.31 21.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.781 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 p -105.32 -4.42 21.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.562 HG23 ' HG2' ' A' ' 34' ' ' GLN . 4.6 m -88.77 140.43 29.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.919 HG13 ' HG3' ' A' ' 64' ' ' GLN . 11.7 t -77.21 137.26 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.89 HD11 HD21 ' A' ' 70' ' ' LEU . 1.6 mt -62.98 -21.43 66.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.906 HD23 HG11 ' A' ' 31' ' ' VAL . 1.4 pp -62.52 -43.37 98.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.562 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.0 OUTLIER -67.84 -39.54 83.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -72.21 -49.84 40.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.549 HD23 ' CD2' ' A' ' 61' ' ' LEU . 28.3 tp -59.0 -41.27 87.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 7.3 mm-40 -65.85 -44.28 85.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.57 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -61.75 -54.24 45.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 35' ' ' VAL . 74.4 p -62.6 -35.06 78.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.385 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 44' ' ' ASP . 16.5 m -68.15 -36.62 79.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 108.321 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.564 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -65.49 -48.72 71.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.57 ' CD ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -74.9 -37.04 62.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.538 ' CG ' ' HB2' ' A' ' 45' ' ' PHE . 1.1 pt20 -91.66 6.31 46.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 40' ' ' CYS . 0.7 OUTLIER 38.95 68.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.784 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 1.1 m-85 -129.92 159.22 37.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.435 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 2.8 m-20 -121.86 143.02 37.5 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.771 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.5 Cg_endo -75.0 -35.63 3.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.567 ' HA ' ' HA ' ' A' ' 82' ' ' SER . 10.8 t -64.45 -8.6 14.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.602 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 45.3 mm-40 -123.89 -2.49 8.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.784 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 19.4 m-85 -142.52 139.63 31.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.655 ' O ' HD13 ' A' ' 52' ' ' LEU . 1.0 OUTLIER -131.32 147.74 52.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.782 ' O ' ' N ' ' A' ' 59' ' ' LEU . 0.4 OUTLIER -121.5 133.92 55.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 57' ' ' THR . 0.7 OUTLIER -147.68 142.97 27.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.528 ' CD2' ' HB ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -129.76 113.64 14.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 55.45 -104.7 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.284 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.8 14.96 22.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.272 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.528 ' HB ' ' CD2' ' A' ' 54' ' ' PHE . 4.5 m -120.19 122.01 40.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.414 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.473 ' O ' HD13 ' A' ' 63' ' ' LEU . 34.6 m -84.37 140.65 15.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.807 HD12 HD13 ' A' ' 32' ' ' LEU . 2.2 mm? -116.13 118.6 33.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.439 ' N ' HD12 ' A' ' 63' ' ' LEU . 11.2 t0 -140.44 -154.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.771 HD11 ' CG ' ' A' ' 47' ' ' PRO . 16.8 mt -90.43 -42.77 10.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.4 p -85.09 40.68 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.029 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.588 ' O ' HD12 ' A' ' 32' ' ' LEU . 40.4 mt -143.52 105.23 4.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.919 ' HG3' HG13 ' A' ' 31' ' ' VAL . 5.4 mp0 -88.11 150.91 23.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.846 ' HZ3' HG22 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -63.44 -40.34 96.9 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.15 -17.21 6.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -110.12 -62.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -56.94 -17.5 9.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 69' ' ' ASN . 8.4 p-10 42.21 93.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.89 HD21 HD11 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -92.36 159.1 37.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.617 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.5 Cg_endo -74.95 172.46 16.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.521 1.8 . . . . 0.0 111.029 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.634 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -35.93 -91.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.77 ' C ' ' O ' ' A' ' 11' ' ' ALA . 16.1 m-20 -62.74 -1.93 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.664 ' HB2' ' CH2' ' A' ' 65' ' ' TRP . . . 30.72 86.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 1.009 ' C ' HD13 ' A' ' 76' ' ' LEU . 4.2 pttt -95.44 121.18 36.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.034 HD21 HG12 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -117.86 154.1 32.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.653 ' HA ' HD13 ' A' ' 15' ' ' LEU . 2.6 pt-20 -101.73 135.19 43.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.68 ' CE ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -89.62 133.71 34.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.652 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.4 p -146.09 136.22 11.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.979 ' O ' HG13 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.97 133.02 16.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.979 HG13 ' O ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER 164.28 -163.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.567 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 61.5 p -121.47 168.14 12.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -47.34 106.1 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.6 p 41.85 90.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.985 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.564 ' HB3' ' CH2' ' A' ' 65' ' ' TRP . 74.3 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.735 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -142.37 152.67 43.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.817 HG22 HD21 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -118.65 140.43 42.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.663 ' O ' ' N ' ' A' ' 76' ' ' LEU . 12.1 t -130.54 129.16 42.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.034 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.573 ' HB ' ' CE1' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -119.47 117.32 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.902 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -106.25 119.27 38.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 20' ' ' ARG . . . -85.2 134.5 40.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 78' ' ' MET . 18.4 Cg_endo -74.97 -8.4 20.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.501 ' ND2' ' HB1' ' A' ' 16' ' ' ALA . 12.7 p30 -80.08 1.81 26.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.3 15.81 36.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.775 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 12.8 mmt-85 -112.84 114.3 26.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.407 ' HG2' ' HB2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -110.34 121.93 46.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.573 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 12.1 p-80 -139.24 136.79 35.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.612 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 4.9 t -118.81 125.58 49.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.385 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.719 ' O ' ' O ' ' A' ' 12' ' ' VAL . 87.1 t -120.56 127.43 75.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 17.6 pttp -81.95 113.26 19.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.597 HG13 ' HB ' ' A' ' 12' ' ' VAL . 2.5 m -114.19 168.39 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.931 HG22 ' HD2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -99.59 154.06 37.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.421 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.931 ' HD2' HG22 ' A' ' 27' ' ' THR . 18.4 Cg_endo -74.96 -12.35 21.59 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 p -111.5 -2.53 15.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.021 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.581 HG23 ' HG2' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -88.8 140.22 29.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.422 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.931 HG12 ' HG2' ' A' ' 64' ' ' GLN . 4.2 m -77.11 128.6 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.558 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -56.86 -21.43 29.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 3.2 pp -63.2 -43.46 98.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.368 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.581 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.0 OUTLIER -67.79 -39.89 83.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -72.06 -49.9 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.593 HD23 ' SG ' ' A' ' 40' ' ' CYS . 4.9 tt -58.79 -44.88 90.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 4.3 mm-40 -67.2 -42.16 84.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.278 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.602 ' O ' ' CD ' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -61.5 -54.46 42.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.546 ' HA ' ' CG ' ' A' ' 42' ' ' ARG . 2.8 t -60.82 -34.39 74.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 110.407 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.613 ' O ' ' N ' ' A' ' 44' ' ' ASP . 8.8 m -68.3 -36.56 79.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 108.309 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.567 ' CG ' ' N ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -64.71 -48.74 73.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.602 ' CD ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -72.74 -36.26 67.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.559 ' HG3' ' CG ' ' A' ' 45' ' ' PHE . 1.4 pt20 -98.55 13.36 32.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.613 ' N ' ' O ' ' A' ' 40' ' ' CYS . 7.6 p-10 32.66 69.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.689 ' CD2' ' CE2' ' A' ' 50' ' ' TYR . 0.9 OUTLIER -127.59 159.47 34.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 1.2 m-20 -121.19 143.42 37.2 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.489 ' CG ' HD11 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -75.0 -35.7 2.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.455 1.766 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.497 ' C ' ' O ' ' A' ' 81' ' ' VAL . 10.2 t -64.47 -8.53 13.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.628 ' CA ' ' O ' ' A' ' 81' ' ' VAL . 16.9 mt-10 -123.48 -2.52 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.689 ' CE2' ' CD2' ' A' ' 45' ' ' PHE . 22.9 m-85 -143.62 139.26 29.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.665 ' HB2' HG12 ' A' ' 81' ' ' VAL . 3.9 m-20 -131.4 147.65 52.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.807 ' O ' ' N ' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -121.43 133.84 55.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 57' ' ' THR . 0.5 OUTLIER -149.02 143.15 25.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 57' ' ' THR . 0.9 OUTLIER -124.47 113.64 18.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.429 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 10.6 tt0 56.97 -103.44 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.429 ' N ' ' HG2' ' A' ' 55' ' ' GLN . 9.6 mtt180 -110.64 14.53 22.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.529 ' O ' ' N ' ' A' ' 54' ' ' PHE . 16.7 m -117.16 135.84 53.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.445 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.551 ' C ' HD22 ' A' ' 59' ' ' LEU . 35.4 m -94.5 140.71 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.807 ' N ' ' O ' ' A' ' 52' ' ' LEU . 4.3 mm? -119.59 118.0 29.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.468 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.3 t0 -140.68 -152.6 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.489 HD11 ' CG ' ' A' ' 47' ' ' PRO . 1.2 mt -90.16 -42.53 11.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.441 ' O ' HD23 ' A' ' 63' ' ' LEU . 52.8 p -84.91 40.28 0.8 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.997 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.471 ' CD1' HG23 ' A' ' 58' ' ' VAL . 33.7 mt -144.35 98.79 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.931 ' HG2' HG12 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -85.78 155.69 20.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.704 ' HA ' HD22 ' A' ' 70' ' ' LEU . 1.3 t90 -63.41 -42.64 98.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 107.989 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -56.11 -15.99 4.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -111.62 -62.11 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 69' ' ' ASN . . . -60.99 -14.8 25.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 69' ' ' ASN . 8.0 p-10 41.65 92.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.704 HD22 ' HA ' ' A' ' 65' ' ' TRP . 0.3 OUTLIER -95.08 157.4 36.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.674 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.99 172.49 16.27 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.648 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -38.99 -85.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.735 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.9 OUTLIER -64.32 -1.89 1.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.674 ' HA ' ' HD2' ' A' ' 71' ' ' PRO . . . 28.36 82.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 1.002 ' C ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -88.66 123.41 33.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.002 HD13 ' C ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -118.13 154.12 32.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.652 ' HA ' HD13 ' A' ' 15' ' ' LEU . 2.3 mt-10 -102.77 133.01 48.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.429 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -86.19 130.58 34.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 110.994 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.664 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -146.17 132.06 9.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.817 ' O ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.03 132.96 15.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.452 1.764 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.926 HG22 ' H ' ' A' ' 82' ' ' SER . 6.3 p 163.26 -155.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.926 ' H ' HG22 ' A' ' 81' ' ' VAL . 2.5 p -130.5 -172.24 2.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.71 137.83 58.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.2 t -70.52 156.37 39.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.983 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 stop_ save_