data_1wjk_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 1wjk _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 ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.3 mt -96.65 157.65 34.94 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HB2' ' CD2' ' A' ' 72' ' ' LEU . 18.2 Cg_endo -74.96 157.85 42.69 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.1 t -100.32 110.92 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.587 HD23 ' CE1' ' A' ' 44' ' ' PHE . 7.4 tp -93.24 111.5 23.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.418 ' HB ' ' HB2' ' A' ' 71' ' ' HIS . 1.7 m -79.86 102.0 8.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' GLN . 2.6 tp -95.14 121.41 36.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.506 ' CD1' ' HB ' ' A' ' 49' ' ' VAL . 57.9 m-85 -109.61 98.67 7.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.447 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -101.74 165.32 11.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.421 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.489 ' CD ' HD11 ' A' ' 67' ' ' ILE . 1.7 ptmt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.431 ' C ' ' N ' ' A' ' 31' ' ' ASP . 18.8 mt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.447 ' HB2' ' CB ' ' A' ' 23' ' ' THR . 14.7 p -48.61 -24.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.269 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.431 ' N ' ' C ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -70.84 -56.4 6.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 33' ' ' ALA . 3.9 tt0 -61.87 -49.39 76.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.474 ' HB2' ' CG2' ' A' ' 82' ' ' VAL . . . -37.99 -61.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -45.43 -52.31 10.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -53.18 -29.1 29.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 33' ' ' ALA . 13.2 t -78.57 -19.28 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.414 HD12 ' CE2' ' A' ' 70' ' ' PHE . 16.2 mt -101.57 19.79 17.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.509 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -69.09 -51.14 18.8 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.568 ' HG2' ' CE1' ' A' ' 40' ' ' TYR . 18.3 Cg_endo -75.03 0.79 8.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.568 ' CE1' ' HG2' ' A' ' 39' ' ' PRO . 55.9 m-85 -123.19 10.42 9.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -62.95 -33.1 74.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -97.26 -13.88 21.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.418 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 4.9 mmp_? -68.76 -9.01 48.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.587 ' CE1' HD23 ' A' ' 19' ' ' LEU . 2.5 p90 178.69 177.97 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 12.8 mt -92.48 100.43 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 42.4 tp -73.68 105.66 5.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' LEU . 13.8 tt0 -93.77 98.43 11.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.5 108.41 13.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.506 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 94.0 t -100.73 127.6 53.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -86.65 103.15 14.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.415 ' CD1' ' CD1' ' A' ' 67' ' ' ILE . 22.5 pt -81.67 -19.3 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.1 p -66.93 -10.29 47.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 mt -80.72 160.11 67.52 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -45.48 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.769 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -62.42 -21.14 65.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -108.1 4.67 25.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.2 t -45.1 -33.12 2.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 m -58.62 -54.62 45.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.451 ' O ' ' CG ' ' A' ' 62' ' ' ARG . 63.5 m95 -49.74 -43.93 48.18 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 64' ' ' LYS . 42.7 t80 -67.64 -55.81 11.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.953 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -45.86 -35.42 4.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.51 ' NE ' ' CE2' ' A' ' 63' ' ' TYR . 8.6 ptm180 -88.55 -29.25 20.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.51 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 21.4 m-85 -134.82 68.13 1.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -103.61 -17.09 15.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.469 ' CD2' ' HG3' ' A' ' 64' ' ' LYS . 1.3 p90 -132.25 5.77 4.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.492 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -117.33 29.48 7.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.505 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 0.7 OUTLIER -109.11 162.59 19.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.505 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.98 147.63 89.75 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.97 -2.513 . . . . 0.0 111.007 -0.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.527 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 45.8 t -104.06 152.11 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.593 ' CE1' HG22 ' A' ' 82' ' ' VAL . 96.7 m-85 -137.28 118.7 14.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.562 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 36.3 m170 -112.21 118.4 35.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.623 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.431 ' HG ' ' CD1' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -103.75 112.3 25.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.51 28.97 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.47 38.82 57.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -149.9 117.52 6.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.562 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -38.17 102.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.433 ' CD2' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -82.48 -43.52 17.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.9 ptt? -175.62 149.05 0.94 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.536 ' HE2' ' CE1' ' A' ' 76' ' ' PHE . 3.1 ptt? -144.45 157.88 44.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.526 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 3.3 m170 87.53 9.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.596 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.424 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.5 OUTLIER 164.34 -166.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.593 HG22 ' CE1' ' A' ' 70' ' ' PHE . 21.6 t -135.54 80.23 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' THR . 1.7 m120 -76.22 77.29 3.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 83' ' ' ASN . 18.2 p -35.76 -53.72 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.41 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' THR . 3.9 t -39.14 -49.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -64.09 -51.31 64.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.7 tp -51.12 -63.82 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -41.66 -53.53 3.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.39 -61.25 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 91' ' ' LEU . 32.8 mm-40 -53.5 -53.21 54.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 90' ' ' GLN . 23.1 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.2 mt -100.59 157.13 34.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 164.46 33.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -108.21 107.94 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.591 HD22 ' CE1' ' A' ' 44' ' ' PHE . 5.8 tp -90.87 109.56 20.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.476 HG23 ' CZ ' ' A' ' 22' ' ' PHE . 3.4 m -78.69 99.9 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.398 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 47' ' ' GLN . 2.2 tp -91.29 121.68 33.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.692 ' CZ ' ' CZ3' ' A' ' 59' ' ' TRP . 72.6 m-85 -108.2 100.18 9.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.48 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -108.35 161.9 14.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.459 ' HB2' ' CG2' ' A' ' 52' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' CYS . 6.2 mp . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.48 ' HB2' ' CB ' ' A' ' 23' ' ' THR . 12.1 p -41.7 -38.77 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 108.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.417 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 1.5 t70 -65.91 -56.45 11.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -58.7 -52.79 64.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' VAL . . . -38.74 -58.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -45.64 -51.26 12.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -53.47 -28.55 31.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.445 ' CG1' HG13 ' A' ' 82' ' ' VAL . 15.7 t -79.14 -19.16 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.6 mt -102.24 19.12 19.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.511 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -69.46 -50.65 18.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.5 Cg_endo -74.98 0.89 8.35 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.781 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.568 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 59.7 m-85 -127.55 21.29 6.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.81 -18.95 45.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -106.78 -15.11 14.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.98 -32.33 70.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.591 ' CE1' HD22 ' A' ' 19' ' ' LEU . 4.5 p90 -151.88 178.63 9.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.7 mt -94.91 99.91 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.34 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 42.3 tp -71.68 104.85 3.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 21' ' ' LEU . 14.9 tt0 -93.96 98.78 11.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -77.68 105.73 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.572 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 81.4 t -96.82 122.99 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.01 103.17 12.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.1 pt -81.81 -11.55 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.459 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 69.0 p -76.7 -0.26 22.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.9 mt -88.08 160.99 45.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -40.21 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.52 1.8 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.99 -22.36 63.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -105.87 6.04 31.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.4 t -46.82 -25.29 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.012 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 m -66.64 -59.12 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.692 ' CZ3' ' CZ ' ' A' ' 22' ' ' PHE . 69.3 m95 -46.13 -34.14 4.03 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 64' ' ' LYS . 35.8 t80 -76.89 -55.65 5.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.12 -28.56 4.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.542 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 12.6 ptp180 -91.11 -30.29 16.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.542 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 28.4 m-85 -137.76 70.07 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -102.39 -20.02 14.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -128.76 7.11 5.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.487 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -120.33 30.37 7.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.513 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 0.5 OUTLIER -108.25 163.04 17.83 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.513 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.2 Cg_endo -75.03 148.44 91.7 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.985 0.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 66' ' ' ASP . 48.6 t -106.3 149.33 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.665 ' CZ ' ' CG2' ' A' ' 82' ' ' VAL . 93.8 m-85 -132.42 116.84 17.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.578 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 31.2 m170 -110.76 117.09 32.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.602 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.45 ' HG ' ' CD1' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -102.28 117.43 34.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 62.65 50.93 3.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 52.77 41.44 57.94 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -154.37 118.54 4.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 0.762 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.578 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.2 OUTLIER -41.75 117.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 111.05 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.41 -44.64 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.9 ptt? -174.87 149.07 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.505 ' C ' ' CG ' ' A' ' 80' ' ' HIS . 2.3 ptt? -142.51 156.41 45.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.505 ' CG ' ' C ' ' A' ' 79' ' ' MET . 1.6 m170 87.5 9.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.608 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 1.3 mtt85 161.82 -167.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.265 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.665 ' CG2' ' CZ ' ' A' ' 70' ' ' PHE . 57.7 t -132.67 80.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -70.26 81.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.4 p -37.37 -53.03 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.375 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.91 -51.62 3.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.007 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -60.54 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.457 HD12 ' CD1' ' A' ' 91' ' ' LEU . 3.2 tp -40.01 -68.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -43.97 -49.79 8.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.57 -61.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 91' ' ' LEU . 31.7 mm-40 -53.74 -53.35 53.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.457 ' CD1' HD12 ' A' ' 87' ' ' LEU . 32.1 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.2 mt -87.05 151.62 52.02 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 159.08 41.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.53 1.805 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.4 t -105.78 115.7 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.593 HD21 ' CE1' ' A' ' 44' ' ' PHE . 6.2 tp -100.87 115.11 29.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 m -77.41 123.43 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.429 HD23 ' CD2' ' A' ' 46' ' ' LEU . 1.5 tp -117.45 121.2 40.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -110.61 98.53 7.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.492 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -104.52 170.11 8.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.416 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.47 ' HB2' ' CG2' ' A' ' 52' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.9 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.492 ' HB2' ' CB ' ' A' ' 23' ' ' THR . 14.4 p -48.17 -26.51 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.294 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.16 -58.14 3.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -54.5 -53.02 59.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 36' ' ' VAL . . . -39.79 -62.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -45.25 -52.34 9.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -53.45 -28.98 33.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.453 ' CG1' HG13 ' A' ' 82' ' ' VAL . 8.1 t -78.37 -18.28 13.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 82' ' ' VAL . 14.1 mt -101.15 19.4 17.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.505 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -69.07 -51.27 18.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.4 Cg_endo -75.0 1.17 8.03 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.48 ' CE2' ' HG2' ' A' ' 39' ' ' PRO . 70.8 m-85 -122.81 4.42 9.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -61.51 -35.78 78.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.91 -17.57 26.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.418 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 3.5 mmp_? -64.54 -27.81 69.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.593 ' CE1' HD21 ' A' ' 19' ' ' LEU . 1.8 p90 -163.88 178.34 7.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.9 mt -93.78 98.68 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.429 ' CD2' HD23 ' A' ' 21' ' ' LEU . 60.3 tp -71.8 112.54 7.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.423 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.95 103.5 15.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.32 101.12 11.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 67.9 t -97.14 133.02 40.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.406 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 15.0 m-20 -92.93 103.1 15.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.473 ' CD1' HD11 ' A' ' 67' ' ' ILE . 13.2 pt -81.78 -15.79 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.47 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 20.1 p -70.8 -9.77 58.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.3 mt -80.27 160.41 68.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -37.83 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.542 1.812 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -63.98 -38.7 92.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 76.2 m-20 -94.7 7.14 46.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.3 t -43.44 -28.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.3 m -65.19 -59.65 3.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.585 ' CE3' ' HD3' ' A' ' 62' ' ' ARG . 51.6 m95 -43.6 -40.61 4.14 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.584 ' CE1' ' HB2' ' A' ' 64' ' ' LYS . 33.0 t80 -69.78 -57.41 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -43.17 -37.41 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.262 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.635 ' NE ' ' CE2' ' A' ' 63' ' ' TYR . 17.6 ptm180 -85.73 -35.87 20.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.244 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.635 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 19.9 m-85 -127.45 69.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.584 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -104.68 -15.98 15.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -135.01 16.2 3.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.52 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -128.82 31.51 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.509 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 0.6 OUTLIER -110.47 162.73 19.34 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.509 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.4 Cg_endo -74.97 150.14 94.98 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.022 -0.001 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.559 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 71.5 t -107.37 151.9 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.705 ' CZ ' ' CG2' ' A' ' 82' ' ' VAL . 96.5 m-85 -136.53 119.26 16.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.567 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 38.0 m170 -113.02 117.74 32.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.605 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.457 ' HG ' ' CD1' ' A' ' 19' ' ' LEU . 0.6 OUTLIER -99.55 113.14 25.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 65.43 49.63 1.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.248 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 56.07 41.48 85.45 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -153.18 122.26 6.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.784 . . . . 0.0 110.265 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.567 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.4 OUTLIER -45.81 113.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.4 -42.61 9.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.8 ptt? -176.86 149.74 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.95 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.512 ' SD ' ' NE2' ' A' ' 80' ' ' HIS . 2.2 ptt? -143.83 157.44 44.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 111.031 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.512 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 1.9 m170 87.82 9.15 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.637 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 162.17 -166.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.705 ' CG2' ' CZ ' ' A' ' 70' ' ' PHE . 66.5 t -132.36 80.18 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 86' ' ' LYS . 77.2 m-20 -71.8 76.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.1 p -37.2 -48.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.411 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -40.94 -45.61 2.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.991 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -69.55 -62.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.4 tp -40.6 -67.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -42.09 -51.33 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.259 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -51.67 -45.37 63.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 91' ' ' LEU . 62.2 mm-40 -64.75 -58.8 5.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' GLN . 16.0 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.1 mt -118.03 157.09 49.49 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HB2' ' CD2' ' A' ' 72' ' ' LEU . 18.4 Cg_endo -75.0 157.78 42.57 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.47 1.773 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.2 t -101.31 102.04 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.584 HD22 ' CE1' ' A' ' 44' ' ' PHE . 6.7 tp -85.02 110.08 18.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.2 m -81.28 104.93 12.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.438 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.474 ' CD2' ' HG3' ' A' ' 48' ' ' GLU . 6.9 tp -95.78 124.96 40.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.787 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 61.3 m-85 -108.88 98.87 8.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.421 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -108.84 164.87 12.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.42 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.491 ' CE ' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.421 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 94.6 m -78.52 -59.34 2.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 108.289 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.75 -53.59 14.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -56.33 -52.71 63.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 110.298 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.487 ' HB2' ' CG2' ' A' ' 82' ' ' VAL . . . -38.47 -57.46 1.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.99 -50.88 14.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 32' ' ' GLU . 7.8 mt-10 -53.93 -27.28 29.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' ALA . 14.3 t -80.6 -19.21 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.0 mt -101.71 14.26 32.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.513 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -63.66 -51.13 68.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.248 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.0 Cg_endo -75.04 0.71 8.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.769 . . . . 0.0 111.004 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.469 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 81.9 m-85 -121.5 7.9 10.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -34.09 74.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -93.67 -16.25 24.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.403 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 10.6 mmp_? -67.89 -11.37 58.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.584 ' CE1' HD22 ' A' ' 19' ' ' LEU . 1.9 p90 178.35 175.15 0.57 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.137 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.6 mt -90.58 100.72 11.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 42.8 tp -76.19 106.52 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 21' ' ' LEU . 5.5 tt0 -93.83 98.27 10.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.474 ' HG3' ' CD2' ' A' ' 21' ' ' LEU . 3.8 mt-10 -79.09 106.47 11.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.444 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 76.2 t -99.06 127.39 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.534 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 2.8 m-20 -85.97 102.55 13.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.568 HD12 ' CD2' ' A' ' 60' ' ' TYR . 7.4 pt -80.28 0.42 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.475 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 1.6 p -87.92 20.09 3.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.379 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.534 ' CD2' ' HB3' ' A' ' 50' ' ' ASP . 2.2 mm? -117.34 160.05 39.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -27.93 9.6 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.465 1.771 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 6.8 pt-20 -68.95 -38.99 79.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 23.5 m-20 -99.62 6.49 45.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.343 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' ASN . 2.5 t -38.84 -32.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 56' ' ' ASN . 2.2 m -62.78 -57.4 11.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.433 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.787 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 76.8 m95 -46.08 -37.47 6.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 108.044 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.568 ' CD2' HD12 ' A' ' 51' ' ' ILE . 30.8 t80 -74.92 -53.74 8.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -50.91 -22.35 2.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.628 ' NE ' ' CE2' ' A' ' 63' ' ' TYR . 9.1 ptm180 -99.54 -28.98 12.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.628 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 21.9 m-85 -136.28 68.84 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -103.14 -14.78 16.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.437 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 3.9 p90 -138.09 10.71 2.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.467 ' HB3' ' NE2' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -122.97 31.02 6.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.544 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -106.35 164.19 15.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.544 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.2 Cg_endo -74.99 152.24 97.95 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.962 -2.516 . . . . 0.0 111.024 -0.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.482 HG11 ' CD2' ' A' ' 71' ' ' HIS . 71.9 t -107.43 151.69 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.607 ' CZ ' HG21 ' A' ' 82' ' ' VAL . 96.4 m-85 -137.81 113.66 9.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.567 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 24.7 m170 -108.58 117.22 33.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.576 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.445 ' HG ' ' CD1' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -100.25 114.88 28.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.35 29.69 4.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.36 34.06 58.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.82 116.35 8.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.567 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.7 OUTLIER -37.62 106.87 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.427 ' CD2' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -86.98 -44.17 11.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.8 ptt? -174.46 149.42 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.495 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 2.6 ptt? -143.67 159.93 41.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.495 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 3.2 m170 87.79 9.94 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.597 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 1.4 mtt180 159.33 -168.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.353 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.607 HG21 ' CZ ' ' A' ' 70' ' ' PHE . 17.9 t -127.37 79.58 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.9 m120 -71.51 76.14 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.7 p -38.11 -52.18 1.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.438 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.35 -43.46 1.76 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -69.55 -61.85 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.429 HD22 ' CD1' ' A' ' 40' ' ' TYR . 12.5 tp -39.91 -66.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -43.04 -56.35 3.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.3 -43.32 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 91' ' ' LEU . 34.6 mm-40 -69.61 -56.02 8.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 90' ' ' GLN . 17.2 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.7 mt -107.06 157.1 36.17 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 161.14 39.09 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.0 t -103.81 111.26 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.253 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.584 HD22 ' CE1' ' A' ' 44' ' ' PHE . 7.5 tp -93.3 110.85 22.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -78.98 104.36 9.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.375 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.431 ' CB ' HD12 ' A' ' 46' ' ' LEU . 2.1 tp -98.53 120.06 38.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.692 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 65.2 m-85 -109.91 100.82 9.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.48 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -107.75 164.56 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.408 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.489 ' CD ' HD11 ' A' ' 67' ' ' ILE . 2.0 ptmt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.524 ' N ' ' CD1' ' A' ' 29' ' ' LEU . 1.9 mp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.48 ' HB2' ' CB ' ' A' ' 23' ' ' THR . 9.3 p -41.74 -39.0 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.358 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.426 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 0.7 OUTLIER -66.2 -61.68 1.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -53.47 -53.35 52.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.477 ' HB1' ' CG2' ' A' ' 82' ' ' VAL . . . -38.66 -63.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' LEU . 5.4 mtpm? -45.5 -53.39 8.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 2.6 mt-10 -52.47 -28.13 19.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 33' ' ' ALA . 16.7 t -79.78 -22.38 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.475 HD22 ' CG1' ' A' ' 82' ' ' VAL . 13.7 mt -96.84 15.82 21.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.503 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -63.96 -50.85 67.68 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -74.98 0.35 9.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.572 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 71.1 m-85 -125.44 30.12 5.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -88.79 -13.9 38.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.18 -14.54 13.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.76 -12.69 60.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.584 ' CE1' HD22 ' A' ' 19' ' ' LEU . 4.2 p90 -173.93 176.67 2.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.9 mt -94.82 101.78 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.431 HD12 ' CB ' ' A' ' 21' ' ' LEU . 40.5 tp -71.4 107.89 4.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -94.94 98.57 10.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.338 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.36 108.85 15.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.493 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 76.8 t -103.18 125.05 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.523 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 12.2 m-20 -85.18 102.62 13.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.503 ' CD1' ' CD2' ' A' ' 60' ' ' TYR . 7.7 pt -80.88 -2.2 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.2 p -81.74 6.92 13.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.523 ' CD2' ' HB3' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -104.79 159.01 30.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -28.33 9.21 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.501 1.79 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 6.5 pt-20 -66.08 -38.74 89.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 25.7 m-20 -99.55 7.59 45.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 56' ' ' ASN . 33.3 t -37.52 -33.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 56' ' ' ASN . 4.4 m -63.65 -54.44 35.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.692 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 58.0 m95 -48.07 -32.59 6.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 107.998 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 64' ' ' LYS . 24.2 t80 -81.84 -52.98 6.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -51.44 -20.98 2.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.571 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 11.2 ptm180 -99.42 -31.7 11.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.277 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.571 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 27.2 m-85 -134.32 71.13 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.962 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -105.09 -11.68 16.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -138.65 11.26 2.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.499 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -123.97 29.19 6.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.5 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 0.6 OUTLIER -107.62 162.37 20.0 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.5 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.4 Cg_endo -75.0 148.05 90.79 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.956 -2.519 . . . . 0.0 111.019 -0.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 66' ' ' ASP . 54.9 t -105.63 152.66 7.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.606 ' CE1' HG21 ' A' ' 82' ' ' VAL . 96.5 m-85 -137.32 118.26 14.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.567 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 35.6 m170 -112.34 117.46 32.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.592 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.459 ' HG ' ' CD1' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -101.22 115.32 30.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 69.32 28.99 4.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.89 35.41 54.35 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.16 120.37 9.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.567 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -40.81 106.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.24 -42.67 13.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.0 ptt? -176.48 149.21 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.536 ' HE2' ' CE1' ' A' ' 76' ' ' PHE . 2.9 ptt? -144.65 157.07 44.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.522 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 3.0 m170 87.52 10.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.6 OUTLIER 162.15 -167.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.606 HG21 ' CE1' ' A' ' 70' ' ' PHE . 12.8 t -137.01 88.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.6 m120 -83.21 82.3 8.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 83' ' ' ASN . 12.8 p -37.06 -53.72 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 110.374 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.5 t -39.82 -47.81 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -65.0 -61.75 1.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.401 HD21 ' CG ' ' A' ' 40' ' ' TYR . 12.7 tp -40.23 -65.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -40.76 -57.92 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.21 -56.02 2.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.083 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -58.93 -53.8 54.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 33.1 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.4 mt -108.72 157.51 36.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 179.43 6.09 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.1 t -121.76 113.02 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.609 HD22 ' CE1' ' A' ' 44' ' ' PHE . 8.4 tp -96.67 111.53 23.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 m -81.19 101.66 9.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.431 HD13 ' N ' ' A' ' 22' ' ' PHE . 6.2 tp -96.23 122.23 38.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.631 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 72.1 m-85 -111.51 103.89 12.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.452 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -114.45 171.76 7.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.379 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.452 ' N ' ' OG1' ' A' ' 23' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.4 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.429 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 82.1 m -41.63 -67.03 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 108.294 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' CYS . 3.0 m-20 -40.13 -58.37 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -53.19 -56.33 17.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.485 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . . . -36.68 -58.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -46.5 -50.6 16.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 32' ' ' GLU . 7.7 mt-10 -53.77 -26.49 23.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 33' ' ' ALA . 14.8 t -81.88 -19.29 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.446 HD13 ' CE2' ' A' ' 70' ' ' PHE . 14.5 mt -100.91 -2.88 30.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -48.0 -51.81 45.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.343 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -74.94 -1.07 10.72 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.462 1.77 . . . . 0.0 111.0 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.576 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 96.2 m-85 -120.89 24.18 10.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 10.4 mtpt -81.92 -40.85 21.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.43 -13.19 52.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.8 -25.25 62.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.609 ' CE1' HD22 ' A' ' 19' ' ' LEU . 5.6 p90 -164.54 -172.26 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.8 mt -100.63 98.98 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.7 tp -75.22 107.59 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 21' ' ' LEU . 5.3 tt0 -93.62 98.48 11.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -80.6 101.97 9.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.533 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 76.2 t -90.74 138.45 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.406 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 1.0 OUTLIER -97.43 103.14 15.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.45 HD12 ' CD2' ' A' ' 60' ' ' TYR . 13.0 pt -82.52 -14.52 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.442 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 69.3 p -71.12 -5.6 32.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.431 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.8 mt -83.55 160.38 59.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -39.88 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -65.91 -39.29 90.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.424 ' C ' ' N ' ' A' ' 58' ' ' THR . 83.7 m-20 -88.34 5.98 39.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.4 t -42.94 -27.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.995 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.424 ' N ' ' C ' ' A' ' 56' ' ' ASN . 1.9 m -65.54 -58.96 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.631 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 59.9 m95 -44.69 -33.5 1.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.575 ' CD1' ' HB3' ' A' ' 64' ' ' LYS . 29.5 t80 -78.96 -53.02 7.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -53.43 -18.82 2.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.604 ' NE ' ' CE2' ' A' ' 63' ' ' TYR . 9.3 ptm180 -102.34 -30.11 11.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.604 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 28.4 m-85 -138.82 76.24 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 4.5 pttt -114.6 -3.25 12.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -139.48 12.18 2.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 67' ' ' ILE . 2.1 m-20 -114.64 -41.58 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.495 ' HA ' ' C ' ' A' ' 68' ' ' PRO . 1.7 pt -36.86 155.41 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.99 130.83 22.32 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.012 -0.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.557 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 98.1 t -97.4 138.97 20.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.582 ' CZ ' HG23 ' A' ' 82' ' ' VAL . 88.6 m-85 -122.91 119.64 31.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.583 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 41.4 m170 -114.82 117.23 30.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.608 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.45 ' HG ' ' CD1' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -105.44 121.6 44.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 62.19 50.76 3.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 50.49 41.35 41.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.95 121.71 5.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.295 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.583 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.9 OUTLIER -44.15 108.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.481 HD22 ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -83.74 -45.75 13.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.45 ' HA ' ' CE1' ' A' ' 76' ' ' PHE . 8.8 ptt? -174.76 149.78 1.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.579 ' HG3' ' CE1' ' A' ' 80' ' ' HIS . 5.4 ptp -145.96 163.17 36.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 111.067 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.579 ' CE1' ' HG3' ' A' ' 79' ' ' MET . 6.7 m170 87.91 9.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.635 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 158.19 -170.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 110.272 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.582 HG23 ' CZ ' ' A' ' 70' ' ' PHE . 12.4 t -125.87 89.37 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 86' ' ' LYS . 38.4 m-20 -87.81 79.72 8.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 85' ' ' SER . 66.6 p -37.07 -57.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.377 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.3 OUTLIER -37.06 -42.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.991 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -70.2 -54.91 10.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.408 HD11 ' CD1' ' A' ' 91' ' ' LEU . 3.8 tp -50.03 -64.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -42.11 -52.77 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -46.84 -55.52 7.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 91' ' ' LEU . 24.6 mm-40 -55.38 -56.08 24.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 90' ' ' GLN . 16.9 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.0 mt -95.71 157.29 36.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.359 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 164.83 32.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.5 t -108.08 110.16 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.586 HD21 ' CE1' ' A' ' 44' ' ' PHE . 8.7 tp -95.24 113.83 25.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -80.8 109.44 15.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.359 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.416 HD21 ' CD2' ' A' ' 46' ' ' LEU . 1.2 tp -102.49 118.84 37.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.497 ' CD1' ' HB ' ' A' ' 49' ' ' VAL . 67.2 m-85 -108.25 102.02 11.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -108.79 168.7 9.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.48 ' CD ' HD11 ' A' ' 67' ' ' ILE . 3.3 ptmt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.4 mt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 31' ' ' ASP . 11.7 p -44.39 -41.89 6.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 108.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.467 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 2.1 m-20 -56.82 -64.33 0.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.42 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 2.5 tt0 -49.06 -53.64 19.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 36' ' ' VAL . . . -40.56 -64.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 37' ' ' LEU . 26.3 mttt -46.77 -52.04 14.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -53.49 -25.9 18.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.465 ' CG1' HG12 ' A' ' 82' ' ' VAL . 5.1 t -82.45 -19.3 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 34' ' ' LYS . 14.3 mt -99.89 -3.65 31.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.486 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -47.82 -52.63 37.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.2 Cg_endo -74.98 1.95 7.16 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.572 1.827 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.562 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 93.8 m-85 -121.61 11.54 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 5.1 mmtm -65.71 -50.95 63.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.77 -10.4 59.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -69.95 -30.85 68.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.586 ' CE1' HD21 ' A' ' 19' ' ' LEU . 1.6 p90 -161.2 -175.6 4.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.9 mt -97.05 99.83 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.416 ' CD2' HD21 ' A' ' 21' ' ' LEU . 41.2 tp -74.16 107.41 6.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -93.88 98.58 11.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -79.19 105.92 10.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.497 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 76.5 t -97.91 126.99 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -87.3 103.02 15.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.255 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.427 ' CG2' ' HB3' ' A' ' 59' ' ' TRP . 19.7 pt -80.96 -16.15 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.5 p -69.63 -13.46 62.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.8 mt -74.03 158.13 86.13 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -37.74 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -72.25 -18.72 61.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -108.53 7.0 26.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.369 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.6 t -46.43 -31.52 2.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.557 1.16 . . . . 0.0 109.982 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.6 m -62.49 -49.79 74.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.427 ' HB3' ' CG2' ' A' ' 51' ' ' ILE . 25.8 m95 -54.32 -32.56 56.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 107.969 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 64' ' ' LYS . 38.0 t80 -80.16 -55.56 4.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 111.052 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -46.58 -30.27 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.577 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -90.4 -35.13 15.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.577 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 27.4 m-85 -130.83 70.56 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.58 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -104.44 -17.24 14.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -132.52 9.54 4.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.507 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -121.92 29.86 6.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.498 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 0.7 OUTLIER -109.17 162.4 20.23 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.498 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.2 Cg_endo -75.05 149.16 93.29 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.974 0.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.567 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 64.6 t -106.27 153.77 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.633 ' CE1' HG21 ' A' ' 82' ' ' VAL . 94.6 m-85 -137.92 121.39 17.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.567 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 35.8 m170 -113.68 118.63 34.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 109.584 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.455 ' HG ' ' CD1' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -101.18 115.58 30.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.22 28.51 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.03 39.57 45.45 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.563 1.164 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.03 121.22 6.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 110.318 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.507 ' CE1' ' HE2' ' A' ' 79' ' ' MET . 0.7 OUTLIER -39.11 111.29 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.74 -41.79 9.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.6 ptt? -176.25 148.26 0.77 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.509 ' SD ' ' NE2' ' A' ' 80' ' ' HIS . 2.4 ptt? -143.94 155.36 44.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.509 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 1.7 m170 87.52 9.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.612 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.438 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 3.6 mtt85 163.24 -167.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.243 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.633 HG21 ' CE1' ' A' ' 70' ' ' PHE . 82.4 t -135.69 83.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.9 m120 -75.9 80.31 2.8 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' ASN . 3.4 p -36.97 -53.28 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.07 -47.63 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.977 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER -66.5 -61.61 1.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.8 tp -42.45 -66.82 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -42.65 -53.17 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.66 -42.47 56.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -67.86 -46.46 71.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 92.0 mt . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.2 mt -87.46 157.32 53.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 162.09 37.79 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.2 t -103.67 124.77 58.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.589 HD22 ' CE1' ' A' ' 44' ' ' PHE . 7.2 tp -110.8 113.52 26.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.402 ' HB ' ' HB2' ' A' ' 71' ' ' HIS . 1.6 m -79.96 114.2 18.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 tp -107.57 121.74 45.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.406 ' CD1' ' HB ' ' A' ' 49' ' ' VAL . 64.5 m-85 -111.48 99.22 8.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.463 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -111.75 172.33 6.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.461 ' HB2' ' CG2' ' A' ' 52' ' ' THR . 1.4 pttt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 57.7 m -41.74 -66.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 108.354 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -41.32 -54.99 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 33' ' ' ALA . 1.5 tt0 -54.39 -53.44 54.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 32' ' ' GLU . . . -37.55 -59.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -45.96 -51.22 13.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -53.41 -28.65 30.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 33' ' ' ALA . 16.7 t -79.83 -20.97 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.428 HD11 ' CE2' ' A' ' 70' ' ' PHE . 15.1 mt -99.01 16.79 21.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.514 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -65.12 -50.86 58.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.06 0.92 8.35 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.467 1.772 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.51 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 75.8 m-85 -123.26 7.06 9.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.94 -32.48 73.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.32 -15.05 23.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.252 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.43 ' CG ' ' HA ' ' A' ' 40' ' ' TYR . 6.0 mmp_? -69.26 -9.15 51.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.589 ' CE1' HD22 ' A' ' 19' ' ' LEU . 3.7 p90 178.5 -179.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.2 mt -96.17 99.7 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.7 tp -71.67 111.32 6.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.418 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.13 102.89 15.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -83.47 98.89 9.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.264 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.406 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 87.8 t -92.54 132.48 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.14 103.39 15.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.458 ' CD1' HD13 ' A' ' 67' ' ' ILE . 13.9 pt -81.96 -14.96 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.461 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 73.5 p -69.67 -6.07 29.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.401 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.9 mt -86.09 158.18 55.94 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -37.81 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.464 1.771 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.55 -26.74 68.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -104.12 7.22 36.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.1 t -40.11 -34.62 0.31 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.556 ' CG2' ' NH2' ' A' ' 62' ' ' ARG . 1.2 m -62.24 -56.92 13.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 110.418 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.418 ' O ' ' HB2' ' A' ' 63' ' ' TYR . 23.0 m95 -45.11 -36.97 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 107.984 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.578 ' CD1' ' HB3' ' A' ' 64' ' ' LYS . 27.7 t80 -79.6 -48.22 14.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.22 -17.48 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.568 ' HD2' ' CE2' ' A' ' 63' ' ' TYR . 1.7 ptp180 -105.58 -28.39 10.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.568 ' CE2' ' HD2' ' A' ' 62' ' ' ARG . 24.4 m-85 -136.46 74.64 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 0.9 OUTLIER -113.27 -10.31 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.419 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 1.0 OUTLIER -133.75 6.54 3.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -106.7 -46.71 3.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.486 ' HA ' ' C ' ' A' ' 68' ' ' PRO . 4.9 pt -35.6 156.53 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.4 Cg_endo -74.95 133.2 30.31 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.003 -0.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.564 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 73.0 t -103.76 144.94 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.577 ' CZ ' HG23 ' A' ' 82' ' ' VAL . 92.8 m-85 -127.59 125.1 39.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.564 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 41.9 m170 -115.95 121.66 42.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.596 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.423 ' HG ' ' CD1' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -109.1 120.28 42.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 65.27 37.65 6.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.21 36.92 94.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -148.53 120.6 8.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 110.281 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.508 ' CG ' ' O ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -41.1 106.27 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.098 . . . . 0.0 111.005 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.414 ' CD2' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -84.26 -46.12 12.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -175.73 151.41 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.622 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 4.1 ptt? -147.81 162.64 38.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.622 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 5.5 m170 87.1 9.25 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.558 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.4 OUTLIER 161.98 -167.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.577 HG23 ' CZ ' ' A' ' 70' ' ' PHE . 40.2 t -133.49 81.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.9 m120 -78.78 81.14 5.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 83' ' ' ASN . 1.4 p -36.69 -55.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.1 -44.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 110.0 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER -67.82 -62.29 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 86' ' ' LYS . 8.9 tp -39.45 -66.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -43.64 -54.95 4.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.94 -53.62 6.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 86' ' ' LYS . 3.2 mp0 -56.5 -54.14 49.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.5 mt -105.81 157.33 34.92 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 163.62 34.96 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.47 1.774 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.0 t -106.76 115.54 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.599 HD22 ' CE1' ' A' ' 44' ' ' PHE . 7.9 tp -100.66 112.21 24.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.416 ' HB ' ' HB2' ' A' ' 71' ' ' HIS . 3.2 m -79.6 109.6 14.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.415 ' CB ' HD13 ' A' ' 46' ' ' LEU . 5.7 tp -103.01 122.18 44.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.24 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.564 ' CD1' ' HB ' ' A' ' 49' ' ' VAL . 70.9 m-85 -110.38 99.52 8.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.459 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -105.43 172.23 6.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.408 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.485 ' CE ' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 30' ' ' CYS . 10.4 mp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 59.7 m -41.75 -41.4 2.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 108.283 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -65.23 -61.48 2.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -51.98 -48.21 64.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.339 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.466 ' HB2' ' CG2' ' A' ' 82' ' ' VAL . . . -37.79 -61.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -46.44 -50.59 16.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -54.76 -26.98 37.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 33' ' ' ALA . 18.0 t -82.91 -19.8 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.432 HD12 ' CE2' ' A' ' 70' ' ' PHE . 14.0 mt -99.55 2.39 44.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.481 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -51.18 -52.77 55.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.05 -0.6 10.19 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.415 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 96.6 m-85 -119.06 19.97 12.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 44' ' ' PHE . 78.4 mttt -77.91 -53.73 7.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -72.96 -12.9 61.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.497 ' CZ ' ' HA ' ' A' ' 43' ' ' ARG . 0.5 OUTLIER -67.44 -48.72 66.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.088 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.599 ' CE1' HD22 ' A' ' 19' ' ' LEU . 1.6 p90 -142.03 -174.66 4.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.6 mt -96.1 99.17 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.415 HD13 ' CB ' ' A' ' 21' ' ' LEU . 41.1 tp -75.54 107.61 7.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -93.76 98.22 10.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.81 105.37 10.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.564 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 89.3 t -96.79 130.69 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -91.49 102.66 15.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.465 ' CD1' HD11 ' A' ' 67' ' ' ILE . 17.3 pt -80.0 -23.7 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 13.3 p -61.59 -13.66 23.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.385 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.9 mt -76.25 158.41 81.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -44.58 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.07 -16.85 62.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -112.31 6.95 19.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.4 t -48.77 -23.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.9 m -69.49 -41.81 75.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.4 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.493 ' CE3' ' HD3' ' A' ' 62' ' ' ARG . 43.5 m95 -63.41 -30.72 71.81 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.578 ' CD1' ' HB3' ' A' ' 64' ' ' LYS . 36.4 t80 -82.98 -51.31 7.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -51.74 -20.31 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.527 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 12.8 ptm180 -102.01 -32.5 10.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.267 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.527 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 21.9 m-85 -133.5 74.71 1.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 1.1 pttt -112.83 -7.41 13.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -135.88 15.29 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -114.87 -45.73 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.502 ' HA ' ' C ' ' A' ' 68' ' ' PRO . 1.1 pt -35.53 155.64 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.98 131.6 24.76 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.038 -2.484 . . . . 0.0 111.008 -0.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.574 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 92.7 t -101.03 143.57 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.591 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 93.5 m-85 -127.61 121.99 31.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.574 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 42.8 m170 -115.25 119.37 36.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.63 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.436 ' HG ' ' CD1' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -106.23 120.65 42.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 62.58 53.47 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 48.68 41.02 26.2 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -155.06 119.65 4.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.756 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.574 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -41.35 116.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.481 HD22 ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -93.17 -43.04 9.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -178.52 151.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.62 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 4.0 ptt? -149.18 162.93 39.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.62 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 5.5 m170 87.77 10.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.601 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.459 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 161.58 -169.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.591 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 40.4 t -132.67 83.57 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 86' ' ' LYS . 4.6 m-20 -85.79 80.43 8.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 83' ' ' ASN . 32.5 p -36.24 -50.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.3 OUTLIER -38.54 -46.61 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -68.13 -59.58 3.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.6 tp -45.95 -65.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.65 -53.37 2.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -45.88 -54.04 8.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 91' ' ' LEU . 34.3 mm-40 -58.82 -54.77 43.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 90' ' ' GLN . 20.6 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.1 mt -90.1 157.36 45.63 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.098 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 154.18 42.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.449 1.763 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -98.52 110.25 25.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.598 HD22 ' CE1' ' A' ' 44' ' ' PHE . 7.1 tp -94.71 112.07 23.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -79.35 115.48 19.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 110.406 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.6 tp -111.14 122.87 49.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.792 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 83.5 m-85 -111.35 109.81 19.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -121.51 157.82 29.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.35 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.471 ' HD3' ' CD1' ' A' ' 67' ' ' ILE . 1.4 ptmt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.446 ' C ' ' N ' ' A' ' 31' ' ' ASP . 16.2 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 57.1 m -43.34 -28.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 108.291 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.446 ' N ' ' C ' ' A' ' 29' ' ' LEU . 2.0 t0 -71.59 -50.72 28.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -68.13 -43.57 78.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.473 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . . . -40.96 -59.26 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -46.76 -51.11 17.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -54.73 -25.57 28.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' ALA . 11.3 t -82.1 -18.49 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.464 ' CD2' HG12 ' A' ' 82' ' ' VAL . 15.0 mt -100.69 -1.12 36.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -49.8 -51.96 55.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.4 Cg_endo -74.96 0.11 9.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.467 1.772 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.448 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 97.7 m-85 -118.71 13.43 13.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 44' ' ' PHE . 2.0 mtpt -69.59 -50.84 40.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.16 -8.01 56.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -73.79 -36.04 64.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.598 ' CE1' HD22 ' A' ' 19' ' ' LEU . 1.4 p90 -156.32 -175.64 5.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.9 mt -96.14 99.64 9.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 42.5 tp -75.76 106.99 7.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -93.62 98.16 10.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.243 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.62 105.39 10.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.561 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 96.1 t -93.42 142.85 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.44 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -102.83 102.92 13.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.566 HD12 ' CD2' ' A' ' 60' ' ' TYR . 24.6 pt -79.91 -17.49 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 36.1 p -69.49 -7.14 35.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.7 mt -82.6 160.04 62.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -39.86 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -74.22 -12.24 60.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 93.7 m-20 -113.41 7.18 17.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.3 t -51.91 -20.78 2.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 m -74.07 -36.9 64.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.393 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.792 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 74.7 m95 -70.13 -12.97 61.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 107.995 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.566 ' CD2' HD12 ' A' ' 51' ' ' ILE . 32.4 t80 -95.0 -57.18 2.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.72 -20.28 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.256 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.57 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 11.0 ptm180 -97.17 -32.04 12.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.57 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 23.4 m-85 -136.58 69.98 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.427 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.7 OUTLIER -106.18 -13.81 15.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -140.35 12.28 2.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.443 ' HB3' ' NE2' ' A' ' 80' ' ' HIS . 0.7 OUTLIER -123.45 27.7 7.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.537 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 0.3 OUTLIER -103.47 163.92 16.48 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.537 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.2 Cg_endo -75.04 151.93 97.5 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.975 0.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.476 HG11 ' CD2' ' A' ' 71' ' ' HIS . 57.6 t -107.3 149.17 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.586 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 97.7 m-85 -137.37 118.05 14.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.566 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 36.0 m170 -112.4 118.76 36.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.593 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.439 ' HG ' ' CD1' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -105.27 115.44 30.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.53 29.37 3.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.31 37.5 63.07 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.075 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 76' ' ' PHE . 2.0 mt-30 -149.13 116.0 5.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 0.73 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.566 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -36.45 104.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 111.032 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.475 HD22 ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -82.67 -42.1 18.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.436 ' HA ' ' CE1' ' A' ' 76' ' ' PHE . 9.3 ptt? -177.71 150.16 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.538 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 3.3 ptt? -144.74 160.47 41.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.538 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 4.1 m170 87.85 9.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.622 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 158.47 -169.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.586 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 10.3 t -128.46 87.87 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 84' ' ' THR . 29.9 m-20 -82.38 78.39 9.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.087 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 83' ' ' ASN . 78.0 p -36.61 -50.79 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.425 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.1 m -40.38 -49.59 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -65.94 -57.67 7.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.414 HD21 ' CD1' ' A' ' 40' ' ' TYR . 13.2 tp -46.93 -64.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -43.77 -54.9 4.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -46.97 38.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 91' ' ' LEU . 38.9 mm-40 -62.81 -57.73 9.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' GLN . 18.9 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.5 mt -108.72 157.8 35.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 157.95 42.23 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.557 1.82 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.1 t -100.64 112.29 32.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.592 HD21 ' CE1' ' A' ' 44' ' ' PHE . 6.1 tp -95.91 112.95 24.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -79.97 118.51 21.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.41 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.444 ' CD2' ' HG3' ' A' ' 48' ' ' GLU . 5.1 tp -113.38 123.85 51.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.451 ' CE1' ' CD2' ' A' ' 59' ' ' TRP . 66.3 m-85 -111.41 106.79 15.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.09 160.83 21.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.444 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.512 ' HD3' ' CD1' ' A' ' 67' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 32' ' ' GLU . 5.3 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 29' ' ' LEU . 37.5 m -41.41 -30.03 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 108.29 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.442 ' N ' ' C ' ' A' ' 29' ' ' LEU . 4.7 m-20 -72.69 -53.36 11.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -65.14 -41.23 94.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.267 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.486 ' HB1' ' CG2' ' A' ' 82' ' ' VAL . . . -43.2 -59.23 2.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -46.35 -50.11 16.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -55.4 -28.94 57.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 33' ' ' ALA . 8.9 t -79.53 -17.28 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.437 HD11 ' CD2' ' A' ' 19' ' ' LEU . 16.0 mt -103.23 -6.93 21.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.512 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -46.91 -50.96 42.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.2 Cg_endo -75.06 2.77 6.29 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.571 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 97.1 m-85 -121.91 6.83 9.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -60.5 -41.4 94.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.83 -14.55 44.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -70.27 -20.5 63.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.592 ' CE1' HD21 ' A' ' 19' ' ' LEU . 1.9 p90 -172.71 177.48 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.06 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.6 mt -92.6 100.73 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.3 tp -76.58 108.53 9.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -93.57 98.22 11.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.444 ' HG3' ' CD2' ' A' ' 21' ' ' LEU . 2.1 mt-10 -80.25 106.41 12.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.438 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 76.4 t -93.93 143.27 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.92 102.39 12.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.557 HD13 ' CD2' ' A' ' 60' ' ' TYR . 21.5 pt -76.98 -24.04 15.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.8 p -60.33 -14.03 16.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.398 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.2 mt -74.63 153.18 87.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -32.71 5.14 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -75.79 -11.3 59.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' SER . 96.5 m-20 -114.38 7.35 16.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.1 OUTLIER -39.54 -40.79 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -56.6 -53.11 61.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.359 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.654 ' CZ3' ' NH1' ' A' ' 62' ' ' ARG . 24.9 m95 -47.81 -39.27 17.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.167 . . . . 0.0 108.006 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.587 ' CD1' ' HB3' ' A' ' 64' ' ' LYS . 8.0 t80 -77.07 -49.36 15.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -56.56 -16.6 6.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.328 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.654 ' NH1' ' CZ3' ' A' ' 59' ' ' TRP . 6.0 ptp180 -105.57 -28.45 10.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.227 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.568 ' CE2' ' HD2' ' A' ' 62' ' ' ARG . 19.1 m-85 -136.74 74.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.059 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.587 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -110.82 -18.32 13.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -134.76 10.46 3.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.517 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -120.62 29.61 7.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.512 ' CD1' ' HD3' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -108.41 162.16 20.92 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.496 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.5 Cg_endo -74.94 149.67 94.22 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.011 -0.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.578 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 73.6 t -107.46 152.83 8.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.593 ' CZ ' HG23 ' A' ' 82' ' ' VAL . 96.9 m-85 -138.37 124.15 19.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.578 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 31.4 m170 -115.71 118.11 32.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.581 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.479 ' HG ' ' CD1' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -104.5 111.39 24.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 73.21 28.87 1.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.97 40.61 56.81 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -151.92 119.8 6.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 0.746 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.542 ' CE1' ' HE3' ' A' ' 79' ' ' MET . 1.0 OUTLIER -39.55 102.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.423 ' CD2' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -83.23 -42.93 16.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -176.71 149.48 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.542 ' HE3' ' CE1' ' A' ' 76' ' ' PHE . 3.1 ptt? -144.79 158.17 43.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.523 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 3.4 m170 87.93 9.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.573 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 162.69 -170.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.593 HG23 ' CZ ' ' A' ' 70' ' ' PHE . 21.3 t -129.61 84.14 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -75.4 77.65 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.8 p -38.08 -53.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.7 m -40.28 -52.72 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.977 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -61.76 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.408 HD22 ' CD2' ' A' ' 40' ' ' TYR . 10.5 tp -40.12 -68.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -42.85 -54.28 4.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.298 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.39 -48.31 7.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 91' ' ' LEU . 34.8 mm-40 -65.99 -52.6 47.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 90' ' ' GLN . 27.9 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.2 mt -100.54 157.07 34.43 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 163.21 35.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 84.4 t -106.22 113.77 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.582 HD23 ' CE1' ' A' ' 44' ' ' PHE . 5.7 tp -99.79 112.19 24.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -77.98 124.15 27.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 tp -117.54 122.25 43.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.813 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 81.0 m-85 -112.43 104.86 13.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.79 168.89 9.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.372 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.483 ' HD3' ' CD1' ' A' ' 67' ' ' ILE . 3.9 pttt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' GLU . 16.9 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.0 m -44.88 -37.13 3.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 108.248 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -63.6 -46.2 86.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -71.41 -46.63 59.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.485 ' HB2' ' CG2' ' A' ' 82' ' ' VAL . . . -37.38 -58.31 0.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -46.51 -50.19 17.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 32' ' ' GLU . 10.2 mt-10 -55.17 -27.76 48.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 33' ' ' ALA . 16.2 t -80.05 -18.3 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.418 HD11 ' CE2' ' A' ' 70' ' ' PHE . 16.7 mt -102.04 14.49 31.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.515 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -64.85 -50.94 60.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.03 2.1 7.02 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.452 ' HA ' ' CG ' ' A' ' 43' ' ' ARG . 85.7 m-85 -122.35 1.13 9.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -30.51 64.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.351 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -94.4 -18.47 21.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.452 ' CG ' ' HA ' ' A' ' 40' ' ' TYR . 6.1 mmp_? -67.77 -11.54 58.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.582 ' CE1' HD23 ' A' ' 19' ' ' LEU . 3.0 p90 179.23 174.72 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.9 mt -92.25 100.11 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 58.4 tp -71.92 111.43 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.433 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.69 103.25 15.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 110.288 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -83.23 100.11 10.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.497 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 91.5 t -93.88 137.28 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -97.64 102.85 14.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.536 HD13 ' CD2' ' A' ' 60' ' ' TYR . 15.4 pt -78.11 -19.65 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 15.7 p -65.8 -9.49 28.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.362 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.0 mt -80.77 160.41 66.7 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -42.42 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.444 1.76 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.83 -24.85 65.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -101.29 7.49 42.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.5 t -50.67 -21.75 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -70.64 -46.64 62.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.381 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.813 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 80.6 m95 -63.57 -15.98 59.57 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.536 ' CD2' HD13 ' A' ' 51' ' ' ILE . 39.1 t80 -92.17 -56.86 2.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -51.76 -19.88 1.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.569 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 10.2 ptm180 -96.87 -35.57 10.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.569 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 22.4 m-85 -131.34 67.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.55 -14.98 17.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -139.85 11.7 2.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.519 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -121.95 34.07 5.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.511 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -109.0 162.77 18.8 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.511 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.96 150.4 95.4 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.996 -0.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.533 HG22 ' CG ' ' A' ' 63' ' ' TYR . 66.2 t -108.73 150.01 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.251 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.584 ' CZ ' HG23 ' A' ' 82' ' ' VAL . 96.7 m-85 -137.49 117.79 13.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.148 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.572 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 27.7 m170 -110.24 119.74 40.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.584 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.09 118.2 35.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 62.61 54.49 2.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 49.76 41.25 35.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -156.08 120.72 4.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 110.318 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.572 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.2 OUTLIER -42.81 119.83 1.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.475 HD21 ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -96.95 -44.65 6.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.8 ptt? -174.32 149.41 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.491 ' O ' ' CB ' ' A' ' 80' ' ' HIS . 2.3 ptt? -143.36 158.51 43.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.491 ' CB ' ' O ' ' A' ' 79' ' ' MET . 2.3 m170 87.97 10.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.614 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 3.2 mtt85 160.25 -169.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.342 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.584 HG23 ' CZ ' ' A' ' 70' ' ' PHE . 15.8 t -129.68 80.46 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' THR . 23.9 m120 -74.04 77.92 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ASN . 80.5 p -37.8 -51.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.4 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.35 -47.37 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.991 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.36 -59.46 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.7 tp -42.12 -66.39 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -45.92 -52.54 11.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.27 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -50.3 -38.72 42.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 91' ' ' LEU . 69.6 mm-40 -72.78 -55.8 6.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.075 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 90' ' ' GLN . 17.9 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.6 mt -89.56 157.31 47.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.454 ' HB2' ' CD2' ' A' ' 72' ' ' LEU . 18.4 Cg_endo -74.98 169.59 22.29 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.453 1.765 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -111.47 109.88 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.578 HD21 ' CE1' ' A' ' 44' ' ' PHE . 7.0 tp -93.86 110.07 21.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.427 HG22 ' CZ ' ' A' ' 22' ' ' PHE . 3.1 m -81.26 101.07 9.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.352 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 47' ' ' GLN . 3.5 tp -93.22 118.33 31.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.55 ' CD1' ' HB ' ' A' ' 49' ' ' VAL . 70.7 m-85 -105.48 100.94 10.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -117.76 173.53 6.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.437 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.466 ' HB2' ' CG2' ' A' ' 52' ' ' THR . 1.9 ptmt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.542 ' N ' ' CD1' ' A' ' 29' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 29' ' ' LEU . 35.2 m -41.26 -42.73 2.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 108.333 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.4 -49.5 34.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -75.9 -48.29 21.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.49 ' HB2' ' CG2' ' A' ' 82' ' ' VAL . . . -37.94 -58.83 0.89 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -46.25 -51.52 14.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -54.03 -27.27 31.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 33' ' ' ALA . 14.3 t -79.59 -17.96 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.41 HD12 ' CE2' ' A' ' 70' ' ' PHE . 12.0 mt -100.73 14.06 32.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.503 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -62.78 -50.98 75.1 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -74.99 -4.69 15.78 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.502 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 88.6 m-85 -117.81 14.74 14.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -31.03 68.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -99.83 -14.12 18.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.469 ' CG ' ' HA ' ' A' ' 40' ' ' TYR . 5.4 mmp_? -65.89 -21.73 66.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.578 ' CE1' HD21 ' A' ' 19' ' ' LEU . 1.6 p90 -168.09 -179.23 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.4 mt -95.04 99.55 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.446 ' CD1' HD22 ' A' ' 19' ' ' LEU . 36.4 tp -75.47 106.03 6.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' LEU . 10.5 tt0 -93.8 98.52 11.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -78.56 101.27 7.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.55 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 82.6 t -89.61 138.9 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.413 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 37.1 m-20 -96.24 103.28 15.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.443 ' CD1' ' CD1' ' A' ' 67' ' ' ILE . 14.7 pt -83.84 -11.01 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 60.4 p -75.78 -6.29 49.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.41 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.3 mt -83.47 159.86 60.55 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.89 2.31 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.483 1.78 . . . . 0.0 111.033 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -72.63 -22.31 60.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 88.8 m-20 -105.93 0.39 25.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.5 t -44.72 -27.27 0.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.1 m -64.48 -45.46 87.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.495 ' CE3' ' HD3' ' A' ' 62' ' ' ARG . 52.9 m95 -61.44 -27.5 68.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 107.999 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.58 ' CD1' ' HB3' ' A' ' 64' ' ' LYS . 38.4 t80 -83.51 -53.61 5.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -50.78 -21.16 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.569 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 9.8 ptm180 -100.33 -33.37 10.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.569 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 23.1 m-85 -134.79 75.05 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 2.6 pttt -113.14 -7.6 13.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.416 ' CD2' ' HG3' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -135.63 12.36 3.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -112.18 -43.59 3.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.509 ' HA ' ' C ' ' A' ' 68' ' ' PRO . 1.0 OUTLIER -35.94 155.15 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.4 Cg_endo -74.91 131.31 23.75 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.968 -2.513 . . . . 0.0 111.029 -0.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.578 HG13 ' CD2' ' A' ' 71' ' ' HIS . 92.5 t -103.32 123.43 56.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.582 ' CE1' HG23 ' A' ' 82' ' ' VAL . 93.5 m-85 -104.74 122.73 46.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.59 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 43.9 m170 -115.48 120.72 40.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.614 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -109.27 117.16 33.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 65.34 45.21 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.64 31.56 57.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -141.83 112.11 6.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.59 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -36.35 109.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.52 -44.75 12.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.1 ptt? -178.69 152.22 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.593 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 4.3 ptt? -149.31 160.67 43.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.593 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 5.1 m170 87.36 9.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.613 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.1 OUTLIER 163.68 -175.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.582 HG23 ' CE1' ' A' ' 70' ' ' PHE . 34.2 t -128.65 79.99 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.9 OUTLIER -80.57 81.97 6.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.261 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 85' ' ' SER . 18.0 p -37.42 -55.2 1.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.394 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.2 OUTLIER -36.11 -38.75 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.983 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -76.22 -60.99 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.462 HD21 ' CD1' ' A' ' 40' ' ' TYR . 5.5 tp -42.6 -64.54 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -43.55 -57.23 3.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.09 -55.64 5.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 91' ' ' LEU . 1.7 mp0 -53.27 -56.91 12.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.447 ' CD1' HD11 ' A' ' 87' ' ' LEU . 14.0 mt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.5 mt -93.29 156.91 39.61 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.25 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 162.09 37.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.539 1.81 . . . . 0.0 110.947 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.5 t -104.56 122.25 57.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.588 HD22 ' CE1' ' A' ' 44' ' ' PHE . 7.2 tp -109.17 114.72 28.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -78.75 126.75 31.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.405 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.425 HD21 ' CD2' ' A' ' 46' ' ' LEU . 2.4 tp -121.43 122.95 40.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.478 ' CE1' ' CD2' ' A' ' 59' ' ' TRP . 78.3 m-85 -110.64 104.13 12.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.479 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 1.6 t -119.47 151.26 38.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.381 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.504 ' HD3' ' CD1' ' A' ' 67' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.449 ' C ' ' N ' ' A' ' 31' ' ' ASP . 3.9 mm? . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.479 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 35.2 m -41.03 -29.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 108.303 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.449 ' N ' ' C ' ' A' ' 29' ' ' LEU . 5.6 t70 -73.4 -57.06 4.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -63.45 -44.8 93.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 36' ' ' VAL . . . -39.19 -59.62 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.4 -52.0 10.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -53.73 -28.47 34.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 33' ' ' ALA . 13.9 t -78.75 -19.82 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.463 ' CD2' HG12 ' A' ' 82' ' ' VAL . 13.2 mt -99.08 18.32 17.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.509 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -67.03 -51.24 37.87 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.258 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -74.98 -0.46 9.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.555 1.818 . . . . 0.0 111.035 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.407 ' CE2' ' HG2' ' A' ' 39' ' ' PRO . 81.9 m-85 -120.69 6.92 10.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -34.69 78.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.91 -18.18 25.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.415 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 12.4 mmp_? -65.87 -14.79 62.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.588 ' CE1' HD22 ' A' ' 19' ' ' LEU . 2.1 p90 -178.55 175.96 1.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.4 mt -92.68 99.78 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.425 ' CD2' HD21 ' A' ' 21' ' ' LEU . 55.3 tp -71.57 112.6 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.428 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.38 102.93 15.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -84.19 99.76 10.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.0 t -90.96 144.12 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.11 102.87 12.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.567 HD13 ' CD2' ' A' ' 60' ' ' TYR . 18.5 pt -77.67 -24.65 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 11.8 p -60.58 -14.19 18.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.3 mt -76.0 159.44 80.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -47.2 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.427 1.751 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -59.52 -24.29 63.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -103.86 7.08 36.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.0 t -42.63 -31.01 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.975 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.2 m -67.99 -50.69 54.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.376 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.635 ' CZ3' ' NH1' ' A' ' 62' ' ' ARG . 21.6 m95 -49.14 -31.99 9.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 107.972 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.585 ' CD1' ' HB3' ' A' ' 64' ' ' LYS . 18.6 t80 -82.85 -50.93 8.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -53.49 -18.41 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.635 ' NH1' ' CZ3' ' A' ' 59' ' ' TRP . 9.6 ptp180 -103.26 -31.61 9.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.578 ' CE2' ' HD2' ' A' ' 62' ' ' ARG . 23.5 m-85 -134.3 74.4 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.585 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -110.68 -13.92 14.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.476 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 2.5 p90 -139.26 10.81 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.517 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -121.66 31.37 6.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.348 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.512 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -108.88 162.93 18.23 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.351 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.512 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -75.02 150.12 94.9 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.995 0.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.571 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 71.7 t -108.43 151.86 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.629 ' CZ ' ' CG2' ' A' ' 82' ' ' VAL . 97.1 m-85 -137.76 123.13 19.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.571 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 35.1 m170 -114.79 122.23 45.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.606 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.44 ' HG ' ' CD1' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -107.35 113.58 27.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 66.54 54.42 0.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 50.33 41.35 39.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -156.26 121.84 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 110.299 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.504 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -43.99 120.83 2.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.989 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.4 ' CB ' ' HB2' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -98.25 -42.63 7.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.3 ptt? -176.46 150.2 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.503 ' SD ' ' NE2' ' A' ' 80' ' ' HIS . 2.1 ptt? -144.72 159.1 43.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.939 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.503 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 2.5 m170 88.19 9.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.584 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 4.6 mtt-85 160.46 -170.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.629 ' CG2' ' CZ ' ' A' ' 70' ' ' PHE . 86.8 t -127.27 83.19 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 84' ' ' THR . 74.8 m-20 -73.99 74.73 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 83' ' ' ASN . 41.5 p -36.15 -55.52 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.378 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.3 OUTLIER -38.65 -47.47 1.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.041 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -66.58 -60.98 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.4 tp -42.19 -66.06 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -44.55 -54.99 5.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.03 -41.93 17.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 91' ' ' LEU . 37.8 mm-40 -69.27 -57.89 4.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 90' ' ' GLN . 17.0 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.7 mt -96.19 157.11 36.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 164.03 34.11 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -107.06 114.72 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.596 HD23 ' CE1' ' A' ' 44' ' ' PHE . 7.0 tp -102.81 113.87 27.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 m -77.64 125.94 30.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.426 HD21 ' CD2' ' A' ' 46' ' ' LEU . 1.7 tp -118.26 119.52 34.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.535 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 69.4 m-85 -109.1 100.59 9.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.462 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -112.39 173.54 6.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.489 ' HB2' ' CG2' ' A' ' 52' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.1 mt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.447 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 71.1 m -42.76 -61.06 1.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 108.314 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -44.77 -54.46 6.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -57.06 -54.24 49.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.339 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 32' ' ' GLU . . . -36.61 -57.32 0.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -46.8 -50.61 18.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' GLU . 9.2 mt-10 -54.23 -26.2 27.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.474 ' CG1' HG11 ' A' ' 82' ' ' VAL . 12.1 t -82.7 -17.47 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.453 HD12 ' CE2' ' A' ' 70' ' ' PHE . 15.5 mt -102.4 0.31 33.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.49 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -50.33 -52.3 55.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.2 Cg_endo -74.98 0.6 8.7 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.511 1.795 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.413 ' CD1' HD22 ' A' ' 87' ' ' LEU . 98.0 m-85 -119.3 14.22 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 44' ' ' PHE . 14.1 mttt -70.85 -46.66 62.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.8 -9.66 59.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -72.81 -29.18 63.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.596 ' CE1' HD23 ' A' ' 19' ' ' LEU . 1.5 p90 -164.28 -179.28 5.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.2 mt -94.05 97.73 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.426 ' CD2' HD21 ' A' ' 21' ' ' LEU . 50.2 tp -72.01 111.7 7.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.65 102.79 15.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.117 . . . . 0.0 110.31 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -82.91 99.55 9.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.417 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 83.9 t -93.27 134.18 31.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.345 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.27 103.27 15.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.559 HD11 ' CD2' ' A' ' 60' ' ' TYR . 11.5 pt -80.8 -18.82 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.489 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 34.4 p -64.2 -11.77 34.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.1 mt -81.28 158.99 68.66 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -45.11 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.799 . . . . 0.0 111.003 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -63.6 -21.68 66.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -105.67 -0.02 25.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 60' ' ' TYR . 40.9 t -40.17 -47.78 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.027 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.0 m -44.45 -48.74 10.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.535 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 54.2 m95 -55.93 -39.44 71.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.579 ' CD1' ' HB3' ' A' ' 64' ' ' LYS . 21.1 t80 -74.14 -52.8 11.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -51.12 -25.0 4.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.551 ' NE ' ' CE2' ' A' ' 63' ' ' TYR . 8.1 ptm180 -97.61 -28.18 14.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.327 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.551 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 23.4 m-85 -137.14 72.67 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.579 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 0.4 OUTLIER -109.84 -15.36 14.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.41 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 1.5 p90 -130.18 6.46 4.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.58 1.175 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.48 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -105.45 -46.38 4.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.503 ' HA ' ' C ' ' A' ' 68' ' ' PRO . 5.0 pt -35.77 155.47 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.5 Cg_endo -74.96 133.56 31.94 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.036 -0.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.565 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 77.3 t -103.66 136.8 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.583 ' CE1' HG23 ' A' ' 82' ' ' VAL . 95.7 m-85 -119.73 123.94 44.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.572 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 45.5 m170 -115.48 123.14 47.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.597 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.421 ' HB2' ' CB ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -109.29 116.91 32.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 62.88 52.72 2.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 50.79 41.32 43.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.96 118.53 4.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 110.353 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.572 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -42.41 110.86 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.022 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.464 HD21 ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -86.8 -44.8 11.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -177.11 152.21 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.615 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 4.2 ptt? -148.88 160.54 43.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.615 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 5.6 m170 87.37 8.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.615 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' A' ' 80' ' ' HIS . 3.2 ptp180 163.69 -174.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.583 HG23 ' CE1' ' A' ' 70' ' ' PHE . 48.2 t -130.46 80.14 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 84' ' ' THR . 5.7 m-20 -81.26 83.37 6.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 85' ' ' SER . 19.4 p -37.99 -54.24 1.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.1 OUTLIER -36.45 -41.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 109.99 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -59.63 2.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.413 HD22 ' CD1' ' A' ' 40' ' ' TYR . 15.1 tp -47.68 -60.96 2.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -44.4 -55.19 5.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.0 -51.22 24.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 91' ' ' LEU . 33.5 mm-40 -58.31 -59.98 4.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 90' ' ' GLN . 18.0 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.0 mt -87.35 157.15 53.57 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 162.97 36.17 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.463 1.77 . . . . 0.0 111.019 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.4 t -105.97 111.58 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.586 HD22 ' CE1' ' A' ' 44' ' ' PHE . 5.5 tp -98.73 109.18 21.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.426 ' HB ' ' HB2' ' A' ' 71' ' ' HIS . 12.8 m -78.13 113.14 15.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 22' ' ' PHE . 5.4 tp -104.81 122.78 46.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.618 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 65.8 m-85 -106.19 99.64 9.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -105.97 171.14 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.438 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.48 ' HG2' ' CD1' ' A' ' 67' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.478 ' N ' ' CD1' ' A' ' 29' ' ' LEU . 3.0 mp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 31' ' ' ASP . 12.3 p -47.35 -41.36 19.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 108.289 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.462 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 2.2 m-20 -62.97 -62.72 1.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -49.86 -54.17 21.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.478 ' HB2' ' CG2' ' A' ' 82' ' ' VAL . . . -40.14 -60.64 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' LEU . 3.1 mttt -46.12 -52.02 12.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -52.93 -25.88 13.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 33' ' ' ALA . 13.3 t -82.29 -22.08 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 34' ' ' LYS . 16.2 mt -98.31 -3.81 36.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.504 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -47.42 -51.55 42.68 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.04 1.74 7.43 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.453 1.765 . . . . 0.0 111.038 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.569 ' CD2' HD22 ' A' ' 87' ' ' LEU . 97.9 m-85 -121.58 9.21 10.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 44' ' ' PHE . 1.4 mmmt -61.86 -46.23 90.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.11 -17.69 42.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -62.39 -28.27 69.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.346 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.586 ' CE1' HD22 ' A' ' 19' ' ' LEU . 1.9 p90 -163.72 -176.79 4.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.1 mt -95.68 99.99 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.5 tp -74.56 105.52 5.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -93.46 98.09 10.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -78.21 103.51 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.6 t -93.58 126.74 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.401 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 1.7 m-20 -87.34 102.91 14.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.46 ' CD1' ' CD1' ' A' ' 67' ' ' ILE . 14.8 pt -80.18 -18.73 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.47 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 30.1 p -70.56 -6.16 34.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.387 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.7 mt -78.76 159.9 73.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -37.58 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.86 -15.89 59.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.335 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 86.7 m-20 -110.57 5.86 21.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.48 -23.31 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.033 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.3 m -67.7 -53.01 31.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.423 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.618 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 59.5 m95 -52.49 -28.3 19.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 108.021 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.572 ' CD1' ' HB3' ' A' ' 64' ' ' LYS . 32.5 t80 -82.51 -53.39 6.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -52.06 -19.84 2.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.575 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -101.07 -32.31 10.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.575 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 24.7 m-85 -136.24 76.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.572 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 4.8 pttt -114.08 -1.71 13.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -140.12 15.53 2.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.402 1.064 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -119.0 -41.58 2.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.496 ' HA ' ' C ' ' A' ' 68' ' ' PRO . 0.9 OUTLIER -36.48 155.04 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.1 Cg_endo -75.02 130.14 20.51 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.001 -2.5 . . . . 0.0 110.975 0.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.57 HG12 ' CD2' ' A' ' 71' ' ' HIS . 72.2 t -97.0 134.04 36.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.595 ' CZ ' HG21 ' A' ' 82' ' ' VAL . 92.6 m-85 -116.5 120.2 38.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.589 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 37.4 m170 -114.88 116.95 29.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.591 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HB2' ' CB ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -103.08 119.54 39.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 62.35 52.95 2.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 49.21 41.5 30.98 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -154.94 120.35 5.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 110.299 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.589 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 1.1 t80 -41.96 113.5 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.473 HD21 ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -90.5 -43.39 10.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.465 ' HA ' ' CE1' ' A' ' 76' ' ' PHE . 8.9 ptt? -177.28 148.19 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 111.063 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.542 ' SD ' ' NE2' ' A' ' 80' ' ' HIS . 3.7 ptt? -144.99 161.47 39.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.542 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 4.5 m170 88.52 9.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.572 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 3.5 mtt85 161.11 -167.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.595 HG21 ' CZ ' ' A' ' 70' ' ' PHE . 22.0 t -131.69 80.63 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 84' ' ' THR . 3.3 m-20 -80.03 77.9 6.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 83' ' ' ASN . 81.2 p -36.16 -52.18 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.412 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.2 OUTLIER -37.86 -44.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.016 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -62.51 1.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.569 HD22 ' CD2' ' A' ' 40' ' ' TYR . 12.8 tp -41.51 -67.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -41.41 -52.39 3.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -50.15 -54.07 23.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 90' ' ' GLN . 25.9 mm-40 -58.75 -49.24 78.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.346 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.9 mt -104.99 157.01 35.16 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.92 42.97 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.4 t -100.37 116.0 42.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.609 HD22 ' CE1' ' A' ' 44' ' ' PHE . 8.5 tp -102.84 110.1 21.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.429 ' HB ' ' HB2' ' A' ' 71' ' ' HIS . 45.8 m -80.8 109.1 15.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.3 tp -100.3 122.71 43.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.437 ' CZ ' ' CZ3' ' A' ' 59' ' ' TRP . 70.4 m-85 -105.32 99.31 8.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -107.46 171.4 7.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.467 ' HG2' ' CD1' ' A' ' 67' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.414 ' CD2' ' N ' ' A' ' 29' ' ' LEU . 1.1 mm? . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.478 ' SG ' ' N ' ' A' ' 31' ' ' ASP . 11.6 p -40.52 -42.19 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.286 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.478 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -57.09 -65.3 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.6 -50.41 65.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 110.266 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.477 ' HB2' ' CG2' ' A' ' 82' ' ' VAL . . . -41.84 -62.59 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 37' ' ' LEU . 2.0 mttm -46.63 -53.06 12.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -53.47 -26.53 20.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 33' ' ' ALA . 6.3 t -82.0 -19.82 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' LYS . 15.4 mt -100.92 -1.43 34.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.492 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -49.69 -52.16 53.43 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.285 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.0 1.11 8.1 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.51 1.795 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.417 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 97.8 m-85 -119.85 12.34 12.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -68.4 -53.44 23.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.53 -13.83 60.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -64.73 -42.7 95.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.609 ' CE1' HD22 ' A' ' 19' ' ' LEU . 1.1 p90 -149.46 -172.89 4.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 10.4 mt -98.84 98.78 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 41.6 tp -75.28 107.17 7.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -93.68 97.82 10.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.441 ' OE2' ' NZ ' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -77.89 106.74 9.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.43 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 72.4 t -95.35 129.16 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.41 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 8.5 m-20 -87.87 103.06 15.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.484 HD11 ' CD1' ' A' ' 67' ' ' ILE . 14.2 pt -82.71 -14.3 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.45 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 4.8 p -73.95 -4.38 34.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.403 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.4 mt -82.76 159.34 63.69 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -35.27 3.25 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -77.29 -12.41 59.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 90.4 m-20 -115.49 6.11 14.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.18 -29.65 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.026 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -65.45 -45.66 82.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.43 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.558 ' CE3' ' HD3' ' A' ' 62' ' ' ARG . 44.5 m95 -57.92 -29.53 65.2 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.587 ' CD1' ' HB3' ' A' ' 64' ' ' LYS . 31.9 t80 -82.22 -56.75 3.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -50.92 -21.36 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.341 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.584 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 11.0 ptm180 -98.23 -30.91 12.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.584 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 21.7 m-85 -138.71 74.71 1.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.624 ' CE ' ' CE2' ' A' ' 65' ' ' PHE . 3.7 pttt -109.99 -35.22 6.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.624 ' CE2' ' CE ' ' A' ' 64' ' ' LYS . 11.5 m-85 -106.63 12.37 29.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -111.62 -46.14 3.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.499 ' HA ' ' C ' ' A' ' 68' ' ' PRO . 1.5 pt -36.16 155.27 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -75.02 131.32 23.84 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.048 -2.48 . . . . 0.0 111.003 0.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.556 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 91.6 t -99.45 139.63 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.581 ' CZ ' HG23 ' A' ' 82' ' ' VAL . 89.6 m-85 -122.6 121.39 36.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.582 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 44.7 m170 -115.24 117.84 31.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.451 ' HB2' ' CB ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -105.32 123.33 47.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 62.13 44.73 7.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.28 41.4 79.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -154.48 119.65 5.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.769 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.582 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -39.68 107.96 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 111.028 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.48 HD21 ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -85.53 -44.57 12.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.418 ' HA ' ' CE1' ' A' ' 76' ' ' PHE . 9.8 ptt? -175.52 148.39 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.571 ' HG3' ' CE1' ' A' ' 80' ' ' HIS . 5.2 ptp -145.11 162.69 36.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.571 ' CE1' ' HG3' ' A' ' 79' ' ' MET . 6.7 m170 87.82 8.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.617 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.464 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 160.7 -174.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.581 HG23 ' CZ ' ' A' ' 70' ' ' PHE . 7.9 t -124.01 81.81 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 84' ' ' THR . 1.7 m120 -81.2 77.71 8.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 83' ' ' ASN . 24.9 p -36.29 -48.95 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.412 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m -41.39 -49.99 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -64.4 -56.11 16.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.447 HD11 ' CD1' ' A' ' 91' ' ' LEU . 6.8 tp -47.24 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -41.59 -53.25 3.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.97 -54.42 6.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' LEU . 48.7 mm-40 -58.74 -55.21 38.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.447 ' CD1' HD11 ' A' ' 87' ' ' LEU . 19.4 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.8 mt -92.29 156.85 41.41 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 166.64 28.78 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.543 1.812 . . . . 0.0 111.05 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.0 t -109.35 116.94 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.088 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.586 HD21 ' CE1' ' A' ' 44' ' ' PHE . 7.0 tp -102.67 112.17 24.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.112 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.485 HG22 ' CZ ' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -78.49 114.46 17.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.422 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.3 tp -109.3 122.73 47.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.819 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 89.2 m-85 -114.67 107.35 15.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.447 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 1.5 t -121.67 152.66 39.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 110.399 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.47 ' HD3' ' CD1' ' A' ' 67' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 32' ' ' GLU . 18.8 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.447 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 35.8 m -43.78 -30.96 0.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 108.298 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.411 ' N ' ' C ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -68.96 -49.17 60.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -68.77 -45.8 70.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.481 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . . . -38.53 -58.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.66 -49.16 19.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 32' ' ' GLU . 10.0 mt-10 -56.37 -27.14 55.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 33' ' ' ALA . 14.8 t -80.79 -17.43 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.412 HD13 ' CE1' ' A' ' 70' ' ' PHE . 16.5 mt -102.52 10.41 38.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.509 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -61.43 -51.19 79.21 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.01 -1.57 11.4 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.454 1.765 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.468 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 98.0 m-85 -116.43 2.78 13.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -58.77 -31.58 68.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -94.38 -16.25 23.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -70.21 -10.03 57.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.586 ' CE1' HD21 ' A' ' 19' ' ' LEU . 2.3 p90 176.77 175.23 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 57.7 mt -91.02 98.99 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.6 tp -71.4 111.21 6.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.348 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.421 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.61 102.95 15.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -84.4 100.29 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.553 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 96.4 t -93.9 147.71 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.2 102.87 12.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.559 HD11 ' CD2' ' A' ' 60' ' ' TYR . 13.7 pt -80.04 -11.08 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.447 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 21.6 p -75.42 0.24 17.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.422 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.0 mt -92.0 160.1 36.43 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -37.66 1.91 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.503 1.791 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -72.53 -20.88 61.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.349 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -106.26 7.71 31.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.4 t -49.58 -22.08 1.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -70.03 -49.84 47.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.819 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 78.9 m95 -59.22 -19.65 47.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 108.012 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.559 ' CD2' HD11 ' A' ' 51' ' ' ILE . 38.2 t80 -88.95 -56.18 3.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -52.22 -20.03 2.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.568 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 9.4 ptm180 -96.82 -31.48 12.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.568 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 22.3 m-85 -135.48 66.77 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.09 -9.21 20.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.477 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 2.3 p90 -147.48 17.28 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 111.038 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.477 ' OD1' ' CD1' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -129.4 30.37 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.537 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 0.5 OUTLIER -104.36 163.91 16.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.537 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.97 151.81 97.4 Favored 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.988 0.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.486 HG22 ' CG ' ' A' ' 63' ' ' TYR . 71.8 t -107.88 149.99 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.585 ' CE2' HG23 ' A' ' 82' ' ' VAL . 97.3 m-85 -138.17 117.42 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.586 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 30.4 m170 -110.84 117.45 33.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.612 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.46 118.61 37.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 68.11 24.91 7.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.29 39.11 32.23 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -150.97 119.11 6.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.586 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.8 OUTLIER -38.23 101.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.444 HD21 ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -80.52 -43.73 20.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.403 ' HA ' ' CE1' ' A' ' 76' ' ' PHE . 7.0 ptt? -175.62 149.65 1.0 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.535 ' HE3' ' CE1' ' A' ' 76' ' ' PHE . 3.2 ptt? -143.35 158.52 43.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.519 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 3.4 m170 87.68 9.64 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.64 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.476 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 7.5 mtt180 160.45 -168.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.585 HG23 ' CE2' ' A' ' 70' ' ' PHE . 16.4 t -129.93 81.05 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 86' ' ' LYS . 2.3 m120 -73.99 78.72 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 83' ' ' ASN . 1.4 p -37.34 -49.04 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.374 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.3 t -42.08 -48.22 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER -67.73 -60.41 2.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.6 tp -40.56 -67.19 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -44.5 -55.92 4.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.06 -49.34 8.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -62.29 -55.77 25.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 69.2 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.6 mt -99.93 157.17 34.38 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.37 27.2 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.45 1.763 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.3 t -110.38 110.12 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.597 HD22 ' CE1' ' A' ' 44' ' ' PHE . 7.3 tp -95.93 111.6 23.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.425 ' HB ' ' HB2' ' A' ' 71' ' ' HIS . 5.2 m -84.37 106.36 15.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.439 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.8 tp -97.6 119.68 36.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.357 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.565 ' CD1' ' HB ' ' A' ' 49' ' ' VAL . 72.1 m-85 -105.11 100.78 10.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -120.18 175.03 6.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.408 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.46 ' N ' ' OG1' ' A' ' 23' ' ' THR . 2.2 ptmt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 32' ' ' GLU . 5.8 mt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 34.1 m -42.5 -29.57 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 108.303 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.454 ' N ' ' C ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -61.65 -51.62 67.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -71.87 -49.11 40.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 36' ' ' VAL . . . -36.79 -57.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -46.47 -50.83 16.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 32' ' ' GLU . 8.8 mt-10 -54.83 -26.07 32.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 33' ' ' ALA . 13.7 t -81.46 -16.2 12.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.403 HD13 ' CE2' ' A' ' 70' ' ' PHE . 13.9 mt -103.83 -0.74 28.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.47 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -50.34 -53.16 47.77 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.2 Cg_endo -75.01 1.25 7.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -119.86 12.96 12.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 44' ' ' PHE . 9.0 mtmp? -69.56 -51.95 30.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -15.51 60.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.41 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 4.0 mmp_? -63.89 -46.86 82.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.597 ' CE1' HD22 ' A' ' 19' ' ' LEU . 1.3 p90 -145.01 -176.77 5.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.7 mt -95.51 99.83 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.456 ' CD1' HD23 ' A' ' 19' ' ' LEU . 32.2 tp -76.57 105.34 7.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.591 1.182 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -93.6 98.49 11.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.31 105.16 10.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.565 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 77.1 t -93.48 133.31 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -91.55 103.3 15.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.426 HD13 ' CD1' ' A' ' 67' ' ' ILE . 11.2 pt -82.91 -9.78 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.6 p -77.34 -2.3 34.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.373 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.5 mt -86.4 161.43 48.69 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -38.2 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.541 1.811 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.21 -26.72 62.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -102.06 6.89 41.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 t -50.98 -22.0 2.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.9 m -68.23 -51.75 41.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.382 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.491 ' CE3' ' HD3' ' A' ' 62' ' ' ARG . 68.8 m95 -54.78 -28.83 51.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 108.025 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.585 ' CD1' ' HB3' ' A' ' 64' ' ' LYS . 31.1 t80 -80.37 -53.13 6.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.97 -18.45 3.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.261 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.562 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 9.1 ptm180 -102.6 -30.44 10.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.562 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 24.8 m-85 -140.33 76.73 1.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.585 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 23.1 pttt -116.85 -5.16 11.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -135.94 9.75 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 67' ' ' ILE . 1.5 m-20 -113.08 -40.67 3.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.501 ' HA ' ' C ' ' A' ' 68' ' ' PRO . 0.9 OUTLIER -36.01 155.45 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.97 130.95 22.61 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.025 -0.101 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.588 HG12 ' CD2' ' A' ' 71' ' ' HIS . 62.8 t -102.9 121.22 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.587 ' CZ ' HG23 ' A' ' 82' ' ' VAL . 94.5 m-85 -101.76 123.34 45.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.588 ' CD2' HG12 ' A' ' 69' ' ' VAL . 33.2 m170 -115.93 117.44 30.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 109.625 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.42 ' HG ' ' CD1' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -106.13 119.49 39.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 62.29 51.98 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 48.83 37.58 21.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.95 115.56 5.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 0.777 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.584 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -38.93 111.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.401 ' CB ' ' HB2' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -88.46 -45.46 9.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.2 ptt? -177.4 150.21 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.591 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 3.8 ptt? -146.38 161.89 39.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.591 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 5.1 m170 87.53 9.91 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.595 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.482 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 15.1 mtt180 159.93 -173.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.587 HG23 ' CZ ' ' A' ' 70' ' ' PHE . 21.0 t -123.26 81.44 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -74.83 75.57 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' ASN . 1.3 p -37.41 -53.07 1.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.143 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.8 t -41.69 -45.45 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.968 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER -69.7 -56.02 8.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 tp -47.53 -65.53 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -43.07 -49.87 6.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -54.64 33.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 91' ' ' LEU . 31.5 mm-40 -54.74 -51.32 66.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 90' ' ' GLN . 35.0 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 34.1 mt -101.66 157.31 33.92 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.61 16.03 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.454 1.765 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.2 t -115.46 115.07 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.248 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.594 HD22 ' CE1' ' A' ' 44' ' ' PHE . 6.5 tp -98.7 111.0 23.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.429 ' HB ' ' HB2' ' A' ' 71' ' ' HIS . 1.8 m -78.65 106.19 10.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.377 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.469 ' CD2' ' HG2' ' A' ' 34' ' ' LYS . 5.5 tp -100.57 122.33 43.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.646 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 61.3 m-85 -107.81 103.26 12.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -117.64 171.31 8.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.406 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.485 ' HB2' ' CG2' ' A' ' 52' ' ' THR . 3.0 pttt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' CYS . 7.9 mp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' LEU . 44.7 m -40.39 -46.11 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 108.321 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -54.23 -58.1 8.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -61.07 -45.86 93.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' VAL . . . -39.11 -61.29 0.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HG2' ' CD2' ' A' ' 21' ' ' LEU . 13.4 mttt -45.93 -51.71 12.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -54.22 -28.92 44.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' ALA . 17.4 t -78.84 -21.42 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' LYS . 12.4 mt -96.92 18.29 14.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.515 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -66.4 -50.85 46.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.01 0.85 8.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.545 1.813 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.572 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 74.6 m-85 -124.78 -0.2 8.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' LEU . 15.2 pttp -61.22 -22.24 64.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -103.7 -15.33 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.63 -13.37 62.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.594 ' CE1' HD22 ' A' ' 19' ' ' LEU . 6.4 p90 -173.78 179.18 2.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.6 mt -95.58 98.88 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.419 ' CD2' HD21 ' A' ' 21' ' ' LEU . 52.1 tp -73.3 108.84 6.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -93.55 98.81 11.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.461 ' HG3' ' CD2' ' A' ' 21' ' ' LEU . 2.2 mt-10 -80.07 101.86 8.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.4 t -88.23 138.87 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -99.48 102.95 14.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.506 HD11 ' CD2' ' A' ' 60' ' ' TYR . 24.4 pt -77.86 -26.99 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.485 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 4.8 p -56.59 -16.98 7.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.4 mt -70.64 157.57 89.85 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -37.42 2.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.87 -35.33 76.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.252 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 59' ' ' TRP . 87.4 m-20 -91.15 7.5 40.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.2 t -44.38 -27.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -70.83 -42.47 70.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.434 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.646 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 48.0 m95 -61.3 -16.14 42.65 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.506 ' CD2' HD11 ' A' ' 51' ' ' ILE . 28.6 t80 -96.35 -54.44 3.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -51.19 -20.43 1.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.562 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 11.1 ptm180 -99.21 -34.35 10.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.239 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.562 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 22.5 m-85 -131.13 71.29 1.47 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.506 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -109.33 -6.12 15.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.427 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 0.9 OUTLIER -143.15 14.13 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.96 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -111.6 -46.23 3.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.498 ' HA ' ' C ' ' A' ' 68' ' ' PRO . 5.3 pt -35.79 156.73 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.2 Cg_endo -75.03 135.31 39.91 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.021 -0.041 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.563 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 97.0 t -105.64 139.66 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.579 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 95.5 m-85 -122.65 123.53 41.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.563 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 45.8 m170 -115.52 122.23 45.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.622 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' A' ' 73' ' ' ASN . 0.4 OUTLIER -106.51 113.43 26.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 72' ' ' LEU . 9.0 m-80 64.11 56.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 48.82 41.78 28.27 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -153.25 123.36 6.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.784 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.555 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -48.22 111.04 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.409 ' CB ' ' HB2' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -88.59 -44.56 10.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.266 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.404 ' O ' ' HB2' ' A' ' 70' ' ' PHE . 9.2 ptt? -177.43 151.81 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.621 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 4.1 ptt? -149.4 163.46 37.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.621 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 6.0 m170 87.22 10.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.574 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.466 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 160.94 -170.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.579 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 48.2 t -129.96 83.51 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 84' ' ' THR . 7.2 m120 -83.76 76.76 9.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 83' ' ' ASN . 2.4 p -35.47 -46.98 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.415 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.6 -46.07 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -69.83 -62.42 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.472 HD11 ' CD1' ' A' ' 91' ' ' LEU . 4.2 tp -39.83 -68.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -41.48 -52.15 3.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.36 -63.22 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 91' ' ' LEU . 24.1 mm-40 -51.71 -53.78 35.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.472 ' CD1' HD11 ' A' ' 87' ' ' LEU . 21.6 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.67 123.02 19.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.779 . . . . 0.0 110.014 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.5 p -58.6 -19.67 40.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.0 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.05 166.7 8.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.448 1.092 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.42 115.8 3.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 0.774 . . . . 0.0 110.034 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.31 95.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.28 143.41 18.05 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -165.52 155.86 13.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.766 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.03 142.89 40.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.86 -56.67 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.008 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 56.69 71.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.7 p -166.8 156.44 11.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.966 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -52.39 166.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 14' ' ' ARG . 5.0 ptt180 -109.29 116.52 32.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.16 116.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.3 mt -96.65 157.65 34.94 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HB2' ' CD2' ' A' ' 72' ' ' LEU . 18.2 Cg_endo -74.96 157.85 42.69 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.1 t -100.32 110.92 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.587 HD23 ' CE1' ' A' ' 44' ' ' PHE . 7.4 tp -93.24 111.5 23.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.418 ' HB ' ' HB2' ' A' ' 71' ' ' HIS . 1.7 m -79.86 102.0 8.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' GLN . 2.6 tp -95.14 121.41 36.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.506 ' CD1' ' HB ' ' A' ' 49' ' ' VAL . 57.9 m-85 -109.61 98.67 7.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.447 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -101.74 165.32 11.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.421 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.489 ' CD ' HD11 ' A' ' 67' ' ' ILE . 1.7 ptmt -156.46 -178.39 7.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.518 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -160.58 149.43 13.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.97 133.91 33.53 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 121.061 -2.475 . . . . 0.0 111.003 -0.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.426 ' N ' ' HA ' ' A' ' 25' ' ' ALA . 1.5 m -162.36 104.55 1.1 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 0.0 108.32 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.62 8.69 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.503 1.791 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.431 ' C ' ' N ' ' A' ' 31' ' ' ASP . 18.8 mt -85.36 -60.72 1.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.447 ' HB2' ' CB ' ' A' ' 23' ' ' THR . 14.7 p -48.61 -24.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.269 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.431 ' N ' ' C ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -70.84 -56.4 6.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 33' ' ' ALA . 3.9 tt0 -61.87 -49.39 76.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.474 ' HB2' ' CG2' ' A' ' 82' ' ' VAL . . . -37.99 -61.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -45.43 -52.31 10.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -53.18 -29.1 29.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 33' ' ' ALA . 13.2 t -78.57 -19.28 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.414 HD12 ' CE2' ' A' ' 70' ' ' PHE . 16.2 mt -101.57 19.79 17.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.509 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -69.09 -51.14 18.8 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.568 ' HG2' ' CE1' ' A' ' 40' ' ' TYR . 18.3 Cg_endo -75.03 0.79 8.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.568 ' CE1' ' HG2' ' A' ' 39' ' ' PRO . 55.9 m-85 -123.19 10.42 9.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -62.95 -33.1 74.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -97.26 -13.88 21.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.418 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 4.9 mmp_? -68.76 -9.01 48.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.587 ' CE1' HD23 ' A' ' 19' ' ' LEU . 2.5 p90 178.69 177.97 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 12.8 mt -92.48 100.43 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 42.4 tp -73.68 105.66 5.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' LEU . 13.8 tt0 -93.77 98.43 11.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.5 108.41 13.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.506 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 94.0 t -100.73 127.6 53.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -86.65 103.15 14.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.415 ' CD1' ' CD1' ' A' ' 67' ' ' ILE . 22.5 pt -81.67 -19.3 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.1 p -66.93 -10.29 47.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 mt -80.72 160.11 67.52 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -45.48 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.769 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -62.42 -21.14 65.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -108.1 4.67 25.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.2 t -45.1 -33.12 2.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 m -58.62 -54.62 45.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.451 ' O ' ' CG ' ' A' ' 62' ' ' ARG . 63.5 m95 -49.74 -43.93 48.18 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 64' ' ' LYS . 42.7 t80 -67.64 -55.81 11.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.953 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -45.86 -35.42 4.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.51 ' NE ' ' CE2' ' A' ' 63' ' ' TYR . 8.6 ptm180 -88.55 -29.25 20.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.51 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 21.4 m-85 -134.82 68.13 1.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -103.61 -17.09 15.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.469 ' CD2' ' HG3' ' A' ' 64' ' ' LYS . 1.3 p90 -132.25 5.77 4.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.492 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -117.33 29.48 7.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.505 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 0.7 OUTLIER -109.11 162.59 19.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.505 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.98 147.63 89.75 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.97 -2.513 . . . . 0.0 111.007 -0.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.527 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 45.8 t -104.06 152.11 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.593 ' CE1' HG22 ' A' ' 82' ' ' VAL . 96.7 m-85 -137.28 118.7 14.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.562 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 36.3 m170 -112.21 118.4 35.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.623 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.431 ' HG ' ' CD1' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -103.75 112.3 25.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.51 28.97 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.47 38.82 57.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -149.9 117.52 6.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.562 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -38.17 102.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.433 ' CD2' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -82.48 -43.52 17.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.9 ptt? -175.62 149.05 0.94 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.536 ' HE2' ' CE1' ' A' ' 76' ' ' PHE . 3.1 ptt? -144.45 157.88 44.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.526 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 3.3 m170 87.53 9.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.596 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.424 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.5 OUTLIER 164.34 -166.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.593 HG22 ' CE1' ' A' ' 70' ' ' PHE . 21.6 t -135.54 80.23 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' THR . 1.7 m120 -76.22 77.29 3.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 83' ' ' ASN . 18.2 p -35.76 -53.72 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.41 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' THR . 3.9 t -39.14 -49.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -64.09 -51.31 64.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.7 tp -51.12 -63.82 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -41.66 -53.53 3.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.39 -61.25 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 91' ' ' LEU . 32.8 mm-40 -53.5 -53.21 54.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 90' ' ' GLN . 23.1 mt -40.46 -59.27 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -41.19 -59.28 1.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 110.249 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -124.16 115.91 21.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.409 ' CD1' HD11 ' A' ' 72' ' ' LEU . 3.0 mt -140.23 -72.66 0.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.4 m -58.12 -55.66 32.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.527 1.142 . . . . 0.0 110.083 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.5 -175.29 31.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 108.88 2.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.63 98.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.032 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.86 108.39 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.052 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t 66.31 156.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.937 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 m -137.37 169.33 17.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.963 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.46 179.48 21.67 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.517 1.135 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 p -167.01 165.63 15.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 0.761 . . . . 0.0 109.955 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.34 169.9 23.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.8 -146.99 5.85 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -173.65 155.69 2.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.64 172.21 15.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.38 150.07 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -175.2 144.55 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.85 169.64 8.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.13 162.55 13.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.76 132.23 45.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -172.41 117.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.2 mt -100.59 157.13 34.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 164.46 33.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -108.21 107.94 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.591 HD22 ' CE1' ' A' ' 44' ' ' PHE . 5.8 tp -90.87 109.56 20.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.476 HG23 ' CZ ' ' A' ' 22' ' ' PHE . 3.4 m -78.69 99.9 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.398 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 47' ' ' GLN . 2.2 tp -91.29 121.68 33.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.692 ' CZ ' ' CZ3' ' A' ' 59' ' ' TRP . 72.6 m-85 -108.2 100.18 9.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.48 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -108.35 161.9 14.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.459 ' HB2' ' CG2' ' A' ' 52' ' ' THR . 0.0 OUTLIER -157.0 -176.71 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.528 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -150.9 147.3 20.57 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.03 135.03 38.59 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.013 -2.495 . . . . 0.0 110.972 0.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.406 ' O ' ' SG ' ' A' ' 30' ' ' CYS . 8.7 t -156.35 102.7 2.04 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 108.338 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -14.94 21.09 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.56 1.821 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' CYS . 6.2 mp -77.91 -54.74 5.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.48 ' HB2' ' CB ' ' A' ' 23' ' ' THR . 12.1 p -41.7 -38.77 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 108.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.417 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 1.5 t70 -65.91 -56.45 11.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -58.7 -52.79 64.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' VAL . . . -38.74 -58.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -45.64 -51.26 12.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -53.47 -28.55 31.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.445 ' CG1' HG13 ' A' ' 82' ' ' VAL . 15.7 t -79.14 -19.16 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.6 mt -102.24 19.12 19.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.511 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -69.46 -50.65 18.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.5 Cg_endo -74.98 0.89 8.35 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.781 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.568 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 59.7 m-85 -127.55 21.29 6.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.81 -18.95 45.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -106.78 -15.11 14.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.98 -32.33 70.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.591 ' CE1' HD22 ' A' ' 19' ' ' LEU . 4.5 p90 -151.88 178.63 9.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.7 mt -94.91 99.91 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.34 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 42.3 tp -71.68 104.85 3.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 21' ' ' LEU . 14.9 tt0 -93.96 98.78 11.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -77.68 105.73 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.572 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 81.4 t -96.82 122.99 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.01 103.17 12.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.1 pt -81.81 -11.55 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.459 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 69.0 p -76.7 -0.26 22.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.9 mt -88.08 160.99 45.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -40.21 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.52 1.8 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.99 -22.36 63.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -105.87 6.04 31.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.4 t -46.82 -25.29 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.012 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 m -66.64 -59.12 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.692 ' CZ3' ' CZ ' ' A' ' 22' ' ' PHE . 69.3 m95 -46.13 -34.14 4.03 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 64' ' ' LYS . 35.8 t80 -76.89 -55.65 5.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.12 -28.56 4.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.542 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 12.6 ptp180 -91.11 -30.29 16.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.542 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 28.4 m-85 -137.76 70.07 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -102.39 -20.02 14.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -128.76 7.11 5.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.487 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -120.33 30.37 7.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.513 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 0.5 OUTLIER -108.25 163.04 17.83 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.513 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.2 Cg_endo -75.03 148.44 91.7 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.985 0.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 66' ' ' ASP . 48.6 t -106.3 149.33 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.665 ' CZ ' ' CG2' ' A' ' 82' ' ' VAL . 93.8 m-85 -132.42 116.84 17.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.578 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 31.2 m170 -110.76 117.09 32.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.602 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.45 ' HG ' ' CD1' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -102.28 117.43 34.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.422 ' ND2' HD12 ' A' ' 94' ' ' LEU . 13.6 m-80 62.65 50.93 3.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 52.77 41.44 57.94 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -154.37 118.54 4.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 0.762 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.578 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.2 OUTLIER -41.75 117.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 111.05 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.41 -44.64 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.9 ptt? -174.87 149.07 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.505 ' C ' ' CG ' ' A' ' 80' ' ' HIS . 2.3 ptt? -142.51 156.41 45.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.505 ' CG ' ' C ' ' A' ' 79' ' ' MET . 1.6 m170 87.5 9.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.608 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 1.3 mtt85 161.82 -167.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.265 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.665 ' CG2' ' CZ ' ' A' ' 70' ' ' PHE . 57.7 t -132.67 80.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -70.26 81.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.4 p -37.37 -53.03 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.375 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.91 -51.62 3.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.007 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -60.54 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.457 HD12 ' CD1' ' A' ' 91' ' ' LEU . 3.2 tp -40.01 -68.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -43.97 -49.79 8.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.57 -61.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 91' ' ' LEU . 31.7 mm-40 -53.74 -53.35 53.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.457 ' CD1' HD12 ' A' ' 87' ' ' LEU . 32.1 mt -39.19 -61.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -38.22 -59.15 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.259 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.09 121.51 22.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.422 HD12 ' ND2' ' A' ' 73' ' ' ASN . 4.6 mt -134.3 -70.41 0.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 58.2 m 56.0 81.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.966 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -129.02 173.32 19.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 166.16 29.73 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.437 1.756 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -133.6 160.07 38.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 110.002 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.5 t -141.19 162.07 36.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.059 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.934 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.34 156.97 43.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 110.0 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.1 p -65.52 151.11 47.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.06 -93.71 0.1 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.9 78.07 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.953 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.8 m -151.32 127.37 10.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.1 -129.98 2.82 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.453 1.096 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 64.31 112.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 0.806 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 mt -129.01 171.14 12.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m -112.72 159.88 18.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 109.996 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -137.86 172.39 13.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.1 p -148.03 147.94 30.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -56.25 157.77 4.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -113.16 90.65 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -159.76 139.06 11.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.2 mt -87.05 151.62 52.02 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 159.08 41.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.53 1.805 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.4 t -105.78 115.7 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.593 HD21 ' CE1' ' A' ' 44' ' ' PHE . 6.2 tp -100.87 115.11 29.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 m -77.41 123.43 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.429 HD23 ' CD2' ' A' ' 46' ' ' LEU . 1.5 tp -117.45 121.2 40.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -110.61 98.53 7.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.492 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -104.52 170.11 8.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.416 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.47 ' HB2' ' CG2' ' A' ' 52' ' ' THR . 0.0 OUTLIER -163.47 -176.61 4.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.522 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -154.15 149.49 20.7 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.5 Cg_endo -74.99 134.29 35.28 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.024 -0.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.404 ' N ' ' HA ' ' A' ' 25' ' ' ALA . 14.2 t -157.37 102.19 1.87 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.113 . . . . 0.0 108.306 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -5.69 17.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.534 1.808 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.9 mt -87.23 -50.07 6.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.492 ' HB2' ' CB ' ' A' ' 23' ' ' THR . 14.4 p -48.17 -26.51 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.294 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.16 -58.14 3.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -54.5 -53.02 59.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 36' ' ' VAL . . . -39.79 -62.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -45.25 -52.34 9.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -53.45 -28.98 33.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.453 ' CG1' HG13 ' A' ' 82' ' ' VAL . 8.1 t -78.37 -18.28 13.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 82' ' ' VAL . 14.1 mt -101.15 19.4 17.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.505 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -69.07 -51.27 18.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.4 Cg_endo -75.0 1.17 8.03 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.48 ' CE2' ' HG2' ' A' ' 39' ' ' PRO . 70.8 m-85 -122.81 4.42 9.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -61.51 -35.78 78.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.91 -17.57 26.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.418 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 3.5 mmp_? -64.54 -27.81 69.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.593 ' CE1' HD21 ' A' ' 19' ' ' LEU . 1.8 p90 -163.88 178.34 7.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.9 mt -93.78 98.68 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.429 ' CD2' HD23 ' A' ' 21' ' ' LEU . 60.3 tp -71.8 112.54 7.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.423 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.95 103.5 15.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.32 101.12 11.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 67.9 t -97.14 133.02 40.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.406 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 15.0 m-20 -92.93 103.1 15.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.473 ' CD1' HD11 ' A' ' 67' ' ' ILE . 13.2 pt -81.78 -15.79 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.47 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 20.1 p -70.8 -9.77 58.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.3 mt -80.27 160.41 68.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -37.83 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.542 1.812 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -63.98 -38.7 92.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 76.2 m-20 -94.7 7.14 46.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.3 t -43.44 -28.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.3 m -65.19 -59.65 3.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.585 ' CE3' ' HD3' ' A' ' 62' ' ' ARG . 51.6 m95 -43.6 -40.61 4.14 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.584 ' CE1' ' HB2' ' A' ' 64' ' ' LYS . 33.0 t80 -69.78 -57.41 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -43.17 -37.41 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.262 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.635 ' NE ' ' CE2' ' A' ' 63' ' ' TYR . 17.6 ptm180 -85.73 -35.87 20.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.244 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.635 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 19.9 m-85 -127.45 69.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.584 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -104.68 -15.98 15.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -135.01 16.2 3.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.52 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -128.82 31.51 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.509 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 0.6 OUTLIER -110.47 162.73 19.34 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.509 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.4 Cg_endo -74.97 150.14 94.98 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.022 -0.001 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.559 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 71.5 t -107.37 151.9 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.705 ' CZ ' ' CG2' ' A' ' 82' ' ' VAL . 96.5 m-85 -136.53 119.26 16.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.567 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 38.0 m170 -113.02 117.74 32.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.605 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.459 HD11 ' CD2' ' A' ' 94' ' ' LEU . 0.6 OUTLIER -99.55 113.14 25.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.425 ' ND2' ' HG ' ' A' ' 94' ' ' LEU . 4.8 m-80 65.43 49.63 1.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.248 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 56.07 41.48 85.45 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -153.18 122.26 6.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.784 . . . . 0.0 110.265 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.567 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.4 OUTLIER -45.81 113.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.4 -42.61 9.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.8 ptt? -176.86 149.74 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.95 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.512 ' SD ' ' NE2' ' A' ' 80' ' ' HIS . 2.2 ptt? -143.83 157.44 44.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 111.031 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.512 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 1.9 m170 87.82 9.15 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.637 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 162.17 -166.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.705 ' CG2' ' CZ ' ' A' ' 70' ' ' PHE . 66.5 t -132.36 80.18 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 86' ' ' LYS . 77.2 m-20 -71.8 76.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.1 p -37.2 -48.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.411 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -40.94 -45.61 2.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.991 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -69.55 -62.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.4 tp -40.6 -67.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -42.09 -51.33 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.259 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -51.67 -45.37 63.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 91' ' ' LEU . 62.2 mm-40 -64.75 -58.8 5.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' GLN . 16.0 mt -39.06 -56.87 1.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.4 mtm-85 -40.47 -57.43 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -113.35 95.79 5.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.459 ' CD2' HD11 ' A' ' 72' ' ' LEU . 14.6 tp -160.87 -66.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.87 76.53 1.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.3 165.32 12.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.954 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.93 25.96 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.99 147.71 28.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.963 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.55 125.76 19.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 110.02 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.469 1.106 . . . . 0.0 110.969 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -85.78 166.58 15.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.7 p -178.32 82.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.33 141.35 3.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.72 146.83 4.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 t -126.49 143.78 51.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.15 78.92 0.12 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -142.09 127.95 19.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.53 -61.99 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.27 140.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.09 176.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 t -131.97 110.02 10.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.932 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -177.81 97.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.71 125.11 52.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -169.41 124.3 0.83 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.1 mt -118.03 157.09 49.49 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HB2' ' CD2' ' A' ' 72' ' ' LEU . 18.4 Cg_endo -75.0 157.78 42.57 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.47 1.773 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.2 t -101.31 102.04 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.584 HD22 ' CE1' ' A' ' 44' ' ' PHE . 6.7 tp -85.02 110.08 18.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.2 m -81.28 104.93 12.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.438 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.474 ' CD2' ' HG3' ' A' ' 48' ' ' GLU . 6.9 tp -95.78 124.96 40.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.787 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 61.3 m-85 -108.88 98.87 8.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.421 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -108.84 164.87 12.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.42 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.491 ' CE ' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -153.91 -177.1 6.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.524 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -155.15 141.0 12.78 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.97 133.36 31.06 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.041 -2.483 . . . . 0.0 110.978 -0.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.443 ' N ' ' HA ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -165.39 101.85 0.77 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 108.31 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -42.9 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.0 mt -48.15 -27.44 2.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.421 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 94.6 m -78.52 -59.34 2.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 108.289 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.75 -53.59 14.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -56.33 -52.71 63.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 110.298 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.487 ' HB2' ' CG2' ' A' ' 82' ' ' VAL . . . -38.47 -57.46 1.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.99 -50.88 14.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 32' ' ' GLU . 7.8 mt-10 -53.93 -27.28 29.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' ALA . 14.3 t -80.6 -19.21 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.0 mt -101.71 14.26 32.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.513 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -63.66 -51.13 68.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.248 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.0 Cg_endo -75.04 0.71 8.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.769 . . . . 0.0 111.004 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.469 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 81.9 m-85 -121.5 7.9 10.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -34.09 74.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -93.67 -16.25 24.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.403 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 10.6 mmp_? -67.89 -11.37 58.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.584 ' CE1' HD22 ' A' ' 19' ' ' LEU . 1.9 p90 178.35 175.15 0.57 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.137 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.6 mt -90.58 100.72 11.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 42.8 tp -76.19 106.52 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 21' ' ' LEU . 5.5 tt0 -93.83 98.27 10.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.474 ' HG3' ' CD2' ' A' ' 21' ' ' LEU . 3.8 mt-10 -79.09 106.47 11.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.444 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 76.2 t -99.06 127.39 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.534 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 2.8 m-20 -85.97 102.55 13.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.568 HD12 ' CD2' ' A' ' 60' ' ' TYR . 7.4 pt -80.28 0.42 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.475 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 1.6 p -87.92 20.09 3.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.379 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.534 ' CD2' ' HB3' ' A' ' 50' ' ' ASP . 2.2 mm? -117.34 160.05 39.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -27.93 9.6 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.465 1.771 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 6.8 pt-20 -68.95 -38.99 79.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 23.5 m-20 -99.62 6.49 45.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.343 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' ASN . 2.5 t -38.84 -32.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 56' ' ' ASN . 2.2 m -62.78 -57.4 11.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.433 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.787 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 76.8 m95 -46.08 -37.47 6.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 108.044 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.568 ' CD2' HD12 ' A' ' 51' ' ' ILE . 30.8 t80 -74.92 -53.74 8.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -50.91 -22.35 2.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.628 ' NE ' ' CE2' ' A' ' 63' ' ' TYR . 9.1 ptm180 -99.54 -28.98 12.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.628 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 21.9 m-85 -136.28 68.84 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -103.14 -14.78 16.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.437 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 3.9 p90 -138.09 10.71 2.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.467 ' HB3' ' NE2' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -122.97 31.02 6.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.544 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -106.35 164.19 15.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.544 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.2 Cg_endo -74.99 152.24 97.95 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.962 -2.516 . . . . 0.0 111.024 -0.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.482 HG11 ' CD2' ' A' ' 71' ' ' HIS . 71.9 t -107.43 151.69 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.607 ' CZ ' HG21 ' A' ' 82' ' ' VAL . 96.4 m-85 -137.81 113.66 9.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.567 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 24.7 m170 -108.58 117.22 33.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.576 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.463 ' CD1' ' CD2' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -100.25 114.88 28.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.35 29.69 4.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.36 34.06 58.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.82 116.35 8.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.567 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.7 OUTLIER -37.62 106.87 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.427 ' CD2' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -86.98 -44.17 11.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.8 ptt? -174.46 149.42 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.495 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 2.6 ptt? -143.67 159.93 41.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.495 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 3.2 m170 87.79 9.94 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.597 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 1.4 mtt180 159.33 -168.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.353 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.607 HG21 ' CZ ' ' A' ' 70' ' ' PHE . 17.9 t -127.37 79.58 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.9 m120 -71.51 76.14 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.7 p -38.11 -52.18 1.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.438 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.35 -43.46 1.76 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -69.55 -61.85 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.429 HD22 ' CD1' ' A' ' 40' ' ' TYR . 12.5 tp -39.91 -66.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -43.04 -56.35 3.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.3 -43.32 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 91' ' ' LEU . 34.6 mm-40 -69.61 -56.02 8.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 90' ' ' GLN . 17.2 mt -38.73 -60.29 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -39.47 -56.65 1.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -108.51 93.68 4.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.463 ' CD2' ' CD1' ' A' ' 72' ' ' LEU . 12.6 tp -165.69 -63.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.64 139.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.035 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -92.37 142.72 16.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.8 21.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.557 1.819 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.6 p -85.74 99.18 11.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.99 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 72.9 m -116.52 92.37 3.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 t -177.24 118.23 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 0.739 . . . . 0.0 109.962 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 p -173.78 165.38 4.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.974 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.37 124.26 0.7 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.84 131.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.978 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.52 150.61 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.65 154.42 25.36 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -139.11 161.89 36.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.761 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -99.06 107.09 19.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.86 160.52 19.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.55 158.34 29.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.37 169.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.029 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -117.95 170.83 8.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -137.75 93.89 2.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -164.42 117.16 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.7 mt -107.06 157.1 36.17 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 161.14 39.09 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.0 t -103.81 111.26 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.253 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.584 HD22 ' CE1' ' A' ' 44' ' ' PHE . 7.5 tp -93.3 110.85 22.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -78.98 104.36 9.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.375 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.431 ' CB ' HD12 ' A' ' 46' ' ' LEU . 2.1 tp -98.53 120.06 38.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.692 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 65.2 m-85 -109.91 100.82 9.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.48 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -107.75 164.56 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.408 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.489 ' CD ' HD11 ' A' ' 67' ' ' ILE . 2.0 ptmt -159.58 -176.83 5.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.522 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -149.12 145.16 18.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.05 140.9 69.82 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.976 0.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' A' ' 30' ' ' CYS . 8.7 t -161.48 102.9 1.21 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 108.312 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -16.94 19.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.524 ' N ' ' CD1' ' A' ' 29' ' ' LEU . 1.9 mp -77.6 -52.81 8.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.48 ' HB2' ' CB ' ' A' ' 23' ' ' THR . 9.3 p -41.74 -39.0 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.358 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.426 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 0.7 OUTLIER -66.2 -61.68 1.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -53.47 -53.35 52.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.477 ' HB1' ' CG2' ' A' ' 82' ' ' VAL . . . -38.66 -63.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' LEU . 5.4 mtpm? -45.5 -53.39 8.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 2.6 mt-10 -52.47 -28.13 19.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 33' ' ' ALA . 16.7 t -79.78 -22.38 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.475 HD22 ' CG1' ' A' ' 82' ' ' VAL . 13.7 mt -96.84 15.82 21.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.503 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -63.96 -50.85 67.68 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -74.98 0.35 9.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.572 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 71.1 m-85 -125.44 30.12 5.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -88.79 -13.9 38.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.18 -14.54 13.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.76 -12.69 60.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.584 ' CE1' HD22 ' A' ' 19' ' ' LEU . 4.2 p90 -173.93 176.67 2.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.9 mt -94.82 101.78 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.431 HD12 ' CB ' ' A' ' 21' ' ' LEU . 40.5 tp -71.4 107.89 4.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -94.94 98.57 10.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.338 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.36 108.85 15.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.493 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 76.8 t -103.18 125.05 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.523 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 12.2 m-20 -85.18 102.62 13.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.503 ' CD1' ' CD2' ' A' ' 60' ' ' TYR . 7.7 pt -80.88 -2.2 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.2 p -81.74 6.92 13.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.523 ' CD2' ' HB3' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -104.79 159.01 30.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -28.33 9.21 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.501 1.79 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 6.5 pt-20 -66.08 -38.74 89.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 25.7 m-20 -99.55 7.59 45.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 56' ' ' ASN . 33.3 t -37.52 -33.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 56' ' ' ASN . 4.4 m -63.65 -54.44 35.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.692 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 58.0 m95 -48.07 -32.59 6.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 107.998 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 64' ' ' LYS . 24.2 t80 -81.84 -52.98 6.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -51.44 -20.98 2.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.571 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 11.2 ptm180 -99.42 -31.7 11.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.277 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.571 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 27.2 m-85 -134.32 71.13 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.962 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -105.09 -11.68 16.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -138.65 11.26 2.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.499 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -123.97 29.19 6.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.5 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 0.6 OUTLIER -107.62 162.37 20.0 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.5 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.4 Cg_endo -75.0 148.05 90.79 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.956 -2.519 . . . . 0.0 111.019 -0.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 66' ' ' ASP . 54.9 t -105.63 152.66 7.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.606 ' CE1' HG21 ' A' ' 82' ' ' VAL . 96.5 m-85 -137.32 118.26 14.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.567 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 35.6 m170 -112.34 117.46 32.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.592 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.46 ' CD2' HD12 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -101.22 115.32 30.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 69.32 28.99 4.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.89 35.41 54.35 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.16 120.37 9.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.567 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -40.81 106.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.24 -42.67 13.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.0 ptt? -176.48 149.21 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.536 ' HE2' ' CE1' ' A' ' 76' ' ' PHE . 2.9 ptt? -144.65 157.07 44.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.522 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 3.0 m170 87.52 10.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.6 OUTLIER 162.15 -167.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.606 HG21 ' CE1' ' A' ' 70' ' ' PHE . 12.8 t -137.01 88.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.6 m120 -83.21 82.3 8.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 83' ' ' ASN . 12.8 p -37.06 -53.72 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 110.374 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.5 t -39.82 -47.81 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -65.0 -61.75 1.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.401 HD21 ' CG ' ' A' ' 40' ' ' TYR . 12.7 tp -40.23 -65.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -40.76 -57.92 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.21 -56.02 2.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.083 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -58.93 -53.8 54.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 33.1 mt -45.04 -53.66 7.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -38.4 -53.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -111.28 -87.24 0.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.46 HD12 ' CD2' ' A' ' 72' ' ' LEU . 1.4 mt 76.67 -52.77 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.0 t 49.14 88.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.037 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -115.73 157.38 15.05 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 81.0 2.31 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.781 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.2 p -99.29 117.62 34.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.951 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.0 m -153.46 104.31 2.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.3 m 63.83 133.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 0.753 . . . . 0.0 110.04 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 m -159.42 -58.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.014 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.01 136.28 4.73 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.431 1.082 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 t 58.19 80.01 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 0.773 . . . . 0.0 109.991 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.66 162.31 32.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.045 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.04 61.0 0.65 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.539 1.149 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -85.18 141.25 30.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.4 mt -111.62 -64.3 1.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.91 -59.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.08 . . . . 0.0 109.972 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 61.01 160.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.7 t -166.74 152.68 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.946 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -152.28 136.49 16.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.6 mtt85 -130.8 139.08 50.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 64.96 133.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.4 mt -108.72 157.51 36.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 179.43 6.09 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.1 t -121.76 113.02 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.609 HD22 ' CE1' ' A' ' 44' ' ' PHE . 8.4 tp -96.67 111.53 23.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 m -81.19 101.66 9.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.431 HD13 ' N ' ' A' ' 22' ' ' PHE . 6.2 tp -96.23 122.23 38.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.631 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 72.1 m-85 -111.51 103.89 12.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.452 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -114.45 171.76 7.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.379 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.452 ' N ' ' OG1' ' A' ' 23' ' ' THR . 0.0 OUTLIER -156.78 -177.37 6.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.521 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -155.09 145.92 16.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -75.01 134.12 34.49 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.993 0.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.429 ' N ' ' HA ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -161.44 112.14 1.23 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 108.301 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 29' ' ' LEU . 18.4 Cg_endo -74.96 -51.0 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.486 1.782 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' PRO . 7.4 mt -39.42 -60.88 0.87 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.429 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 82.1 m -41.63 -67.03 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 108.294 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' CYS . 3.0 m-20 -40.13 -58.37 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -53.19 -56.33 17.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.485 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . . . -36.68 -58.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -46.5 -50.6 16.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 32' ' ' GLU . 7.7 mt-10 -53.77 -26.49 23.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 33' ' ' ALA . 14.8 t -81.88 -19.29 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.446 HD13 ' CE2' ' A' ' 70' ' ' PHE . 14.5 mt -100.91 -2.88 30.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -48.0 -51.81 45.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.343 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -74.94 -1.07 10.72 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.462 1.77 . . . . 0.0 111.0 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.576 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 96.2 m-85 -120.89 24.18 10.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 10.4 mtpt -81.92 -40.85 21.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.43 -13.19 52.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.8 -25.25 62.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.609 ' CE1' HD22 ' A' ' 19' ' ' LEU . 5.6 p90 -164.54 -172.26 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.8 mt -100.63 98.98 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.7 tp -75.22 107.59 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 21' ' ' LEU . 5.3 tt0 -93.62 98.48 11.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -80.6 101.97 9.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.533 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 76.2 t -90.74 138.45 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.406 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 1.0 OUTLIER -97.43 103.14 15.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.45 HD12 ' CD2' ' A' ' 60' ' ' TYR . 13.0 pt -82.52 -14.52 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.442 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 69.3 p -71.12 -5.6 32.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.431 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.8 mt -83.55 160.38 59.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -39.88 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -65.91 -39.29 90.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.424 ' C ' ' N ' ' A' ' 58' ' ' THR . 83.7 m-20 -88.34 5.98 39.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.4 t -42.94 -27.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.995 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.424 ' N ' ' C ' ' A' ' 56' ' ' ASN . 1.9 m -65.54 -58.96 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.631 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 59.9 m95 -44.69 -33.5 1.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.575 ' CD1' ' HB3' ' A' ' 64' ' ' LYS . 29.5 t80 -78.96 -53.02 7.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -53.43 -18.82 2.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.604 ' NE ' ' CE2' ' A' ' 63' ' ' TYR . 9.3 ptm180 -102.34 -30.11 11.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.604 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 28.4 m-85 -138.82 76.24 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 4.5 pttt -114.6 -3.25 12.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -139.48 12.18 2.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 67' ' ' ILE . 2.1 m-20 -114.64 -41.58 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.495 ' HA ' ' C ' ' A' ' 68' ' ' PRO . 1.7 pt -36.86 155.41 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.99 130.83 22.32 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.012 -0.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.557 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 98.1 t -97.4 138.97 20.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.582 ' CZ ' HG23 ' A' ' 82' ' ' VAL . 88.6 m-85 -122.91 119.64 31.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.583 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 41.4 m170 -114.82 117.23 30.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.608 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.484 ' CD1' ' CD1' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -105.44 121.6 44.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.416 ' ND2' ' CD2' ' A' ' 94' ' ' LEU . 19.3 m-80 62.19 50.76 3.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 50.49 41.35 41.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.95 121.71 5.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.295 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.583 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.9 OUTLIER -44.15 108.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.481 HD22 ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -83.74 -45.75 13.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.45 ' HA ' ' CE1' ' A' ' 76' ' ' PHE . 8.8 ptt? -174.76 149.78 1.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.579 ' HG3' ' CE1' ' A' ' 80' ' ' HIS . 5.4 ptp -145.96 163.17 36.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 111.067 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.579 ' CE1' ' HG3' ' A' ' 79' ' ' MET . 6.7 m170 87.91 9.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.635 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 158.19 -170.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 110.272 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.582 HG23 ' CZ ' ' A' ' 70' ' ' PHE . 12.4 t -125.87 89.37 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 86' ' ' LYS . 38.4 m-20 -87.81 79.72 8.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 85' ' ' SER . 66.6 p -37.07 -57.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.377 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.3 OUTLIER -37.06 -42.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.991 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -70.2 -54.91 10.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.408 HD11 ' CD1' ' A' ' 91' ' ' LEU . 3.8 tp -50.03 -64.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -42.11 -52.77 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -46.84 -55.52 7.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 91' ' ' LEU . 24.6 mm-40 -55.38 -56.08 24.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 90' ' ' GLN . 16.9 mt -39.58 -59.34 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 -39.08 -55.62 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -110.95 102.18 10.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.484 ' CD1' ' CD1' ' A' ' 72' ' ' LEU . 7.5 mt -161.62 -58.76 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.82 -65.29 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.118 . . . . 0.0 110.012 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.72 177.68 26.99 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 59.31 5.13 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.5 t -54.18 111.26 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.94 149.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -123.13 151.98 41.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 109.985 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.6 p -120.11 164.16 16.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.001 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.88 94.3 0.28 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 t -128.78 -58.49 1.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 0.0 110.023 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t -160.33 98.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.9 159.44 13.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -124.63 155.93 38.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.6 118.49 7.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.1 t -179.16 111.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -146.89 148.69 32.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.8 m -159.54 143.35 14.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -151.32 128.74 11.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -148.59 135.29 19.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 63.25 142.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.0 mt -95.71 157.29 36.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.359 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 164.83 32.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.5 t -108.08 110.16 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.586 HD21 ' CE1' ' A' ' 44' ' ' PHE . 8.7 tp -95.24 113.83 25.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -80.8 109.44 15.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.359 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.416 HD21 ' CD2' ' A' ' 46' ' ' LEU . 1.2 tp -102.49 118.84 37.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.497 ' CD1' ' HB ' ' A' ' 49' ' ' VAL . 67.2 m-85 -108.25 102.02 11.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -108.79 168.7 9.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.48 ' CD ' HD11 ' A' ' 67' ' ' ILE . 3.3 ptmt -157.54 -176.68 6.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.531 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -153.71 144.82 16.26 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.1 Cg_endo -75.06 140.4 67.02 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.965 0.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.415 ' O ' ' SG ' ' A' ' 30' ' ' CYS . 16.2 t -161.41 100.07 1.24 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 108.302 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -12.46 21.43 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.534 1.807 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.4 mt -76.31 -47.73 22.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 31' ' ' ASP . 11.7 p -44.39 -41.89 6.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 108.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.467 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 2.1 m-20 -56.82 -64.33 0.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.42 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 2.5 tt0 -49.06 -53.64 19.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 36' ' ' VAL . . . -40.56 -64.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 37' ' ' LEU . 26.3 mttt -46.77 -52.04 14.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -53.49 -25.9 18.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.465 ' CG1' HG12 ' A' ' 82' ' ' VAL . 5.1 t -82.45 -19.3 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 34' ' ' LYS . 14.3 mt -99.89 -3.65 31.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.486 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -47.82 -52.63 37.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.2 Cg_endo -74.98 1.95 7.16 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.572 1.827 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.562 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 93.8 m-85 -121.61 11.54 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 5.1 mmtm -65.71 -50.95 63.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.77 -10.4 59.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -69.95 -30.85 68.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.586 ' CE1' HD21 ' A' ' 19' ' ' LEU . 1.6 p90 -161.2 -175.6 4.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.9 mt -97.05 99.83 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.416 ' CD2' HD21 ' A' ' 21' ' ' LEU . 41.2 tp -74.16 107.41 6.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -93.88 98.58 11.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -79.19 105.92 10.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.497 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 76.5 t -97.91 126.99 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -87.3 103.02 15.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.255 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.427 ' CG2' ' HB3' ' A' ' 59' ' ' TRP . 19.7 pt -80.96 -16.15 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.5 p -69.63 -13.46 62.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.8 mt -74.03 158.13 86.13 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -37.74 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -72.25 -18.72 61.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -108.53 7.0 26.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.369 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.6 t -46.43 -31.52 2.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.557 1.16 . . . . 0.0 109.982 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.6 m -62.49 -49.79 74.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.427 ' HB3' ' CG2' ' A' ' 51' ' ' ILE . 25.8 m95 -54.32 -32.56 56.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 107.969 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 64' ' ' LYS . 38.0 t80 -80.16 -55.56 4.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 111.052 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -46.58 -30.27 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.577 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -90.4 -35.13 15.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.577 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 27.4 m-85 -130.83 70.56 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.58 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -104.44 -17.24 14.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -132.52 9.54 4.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.507 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -121.92 29.86 6.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.498 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 0.7 OUTLIER -109.17 162.4 20.23 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.498 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.2 Cg_endo -75.05 149.16 93.29 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.974 0.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.567 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 64.6 t -106.27 153.77 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.633 ' CE1' HG21 ' A' ' 82' ' ' VAL . 94.6 m-85 -137.92 121.39 17.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.567 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 35.8 m170 -113.68 118.63 34.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 109.584 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.47 ' CD2' HD13 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -101.18 115.58 30.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.22 28.51 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.03 39.57 45.45 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.563 1.164 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.03 121.22 6.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 110.318 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.507 ' CE1' ' HE2' ' A' ' 79' ' ' MET . 0.7 OUTLIER -39.11 111.29 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.74 -41.79 9.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.6 ptt? -176.25 148.26 0.77 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.509 ' SD ' ' NE2' ' A' ' 80' ' ' HIS . 2.4 ptt? -143.94 155.36 44.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.509 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 1.7 m170 87.52 9.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.612 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.438 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 3.6 mtt85 163.24 -167.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.243 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.633 HG21 ' CE1' ' A' ' 70' ' ' PHE . 82.4 t -135.69 83.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.9 m120 -75.9 80.31 2.8 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' ASN . 3.4 p -36.97 -53.28 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.07 -47.63 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.977 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER -66.5 -61.61 1.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.8 tp -42.45 -66.82 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -42.65 -53.17 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.66 -42.47 56.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 94' ' ' LEU . 69.3 mm-40 -67.86 -46.46 71.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.31 -35.49 75.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.9 -26.7 67.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.082 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 2.0 mmpt? -135.54 -84.59 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' A' ' 72' ' ' LEU . 2.9 mt 74.67 -53.97 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 61.6 p -51.17 123.04 8.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.965 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -125.07 157.75 19.38 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 58.65 4.98 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.798 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.9 t -58.52 137.41 57.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.6 t -137.22 93.87 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.966 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.87 119.35 38.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.948 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.73 168.64 10.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.47 -178.55 46.79 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 0.0 111.05 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.0 p -118.36 148.17 42.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 0.749 . . . . 0.0 109.996 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.09 91.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.027 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.6 80.36 0.33 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.451 1.095 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -151.02 168.02 25.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.267 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.4 tp -74.27 77.33 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 t -170.82 170.83 6.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.994 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -131.59 120.2 22.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.3 p -176.34 139.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -130.5 119.84 23.22 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -107.98 177.13 4.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -173.3 142.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.2 mt -87.46 157.32 53.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 162.09 37.79 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.2 t -103.67 124.77 58.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.589 HD22 ' CE1' ' A' ' 44' ' ' PHE . 7.2 tp -110.8 113.52 26.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.402 ' HB ' ' HB2' ' A' ' 71' ' ' HIS . 1.6 m -79.96 114.2 18.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 tp -107.57 121.74 45.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.406 ' CD1' ' HB ' ' A' ' 49' ' ' VAL . 64.5 m-85 -111.48 99.22 8.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.463 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -111.75 172.33 6.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.461 ' HB2' ' CG2' ' A' ' 52' ' ' THR . 1.4 pttt -159.39 -177.56 6.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.52 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -152.89 144.51 16.45 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.02 137.63 51.45 Favored 'Cis proline' 0 C--N 1.361 1.2 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.013 0.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -162.54 108.81 1.08 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 108.318 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -43.25 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 111.047 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.2 mt -50.82 -60.58 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 57.7 m -41.74 -66.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 108.354 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -41.32 -54.99 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 33' ' ' ALA . 1.5 tt0 -54.39 -53.44 54.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 32' ' ' GLU . . . -37.55 -59.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -45.96 -51.22 13.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -53.41 -28.65 30.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 33' ' ' ALA . 16.7 t -79.83 -20.97 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.428 HD11 ' CE2' ' A' ' 70' ' ' PHE . 15.1 mt -99.01 16.79 21.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.514 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -65.12 -50.86 58.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.06 0.92 8.35 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.467 1.772 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.51 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 75.8 m-85 -123.26 7.06 9.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.94 -32.48 73.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.32 -15.05 23.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.252 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.43 ' CG ' ' HA ' ' A' ' 40' ' ' TYR . 6.0 mmp_? -69.26 -9.15 51.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.589 ' CE1' HD22 ' A' ' 19' ' ' LEU . 3.7 p90 178.5 -179.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.2 mt -96.17 99.7 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.7 tp -71.67 111.32 6.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.418 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.13 102.89 15.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -83.47 98.89 9.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.264 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.406 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 87.8 t -92.54 132.48 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.14 103.39 15.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.458 ' CD1' HD13 ' A' ' 67' ' ' ILE . 13.9 pt -81.96 -14.96 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.461 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 73.5 p -69.67 -6.07 29.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.401 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.9 mt -86.09 158.18 55.94 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -37.81 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.464 1.771 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.55 -26.74 68.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -104.12 7.22 36.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.1 t -40.11 -34.62 0.31 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.556 ' CG2' ' NH2' ' A' ' 62' ' ' ARG . 1.2 m -62.24 -56.92 13.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 110.418 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.418 ' O ' ' HB2' ' A' ' 63' ' ' TYR . 23.0 m95 -45.11 -36.97 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 107.984 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.578 ' CD1' ' HB3' ' A' ' 64' ' ' LYS . 27.7 t80 -79.6 -48.22 14.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.22 -17.48 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.568 ' HD2' ' CE2' ' A' ' 63' ' ' TYR . 1.7 ptp180 -105.58 -28.39 10.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.568 ' CE2' ' HD2' ' A' ' 62' ' ' ARG . 24.4 m-85 -136.46 74.64 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 0.9 OUTLIER -113.27 -10.31 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.419 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 1.0 OUTLIER -133.75 6.54 3.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -106.7 -46.71 3.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.486 ' HA ' ' C ' ' A' ' 68' ' ' PRO . 4.9 pt -35.6 156.53 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.4 Cg_endo -74.95 133.2 30.31 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.003 -0.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.564 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 73.0 t -103.76 144.94 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.577 ' CZ ' HG23 ' A' ' 82' ' ' VAL . 92.8 m-85 -127.59 125.1 39.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.564 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 41.9 m170 -115.95 121.66 42.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.596 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.457 HD13 ' CD1' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -109.1 120.28 42.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 65.27 37.65 6.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.21 36.92 94.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -148.53 120.6 8.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 110.281 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.508 ' CG ' ' O ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -41.1 106.27 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.098 . . . . 0.0 111.005 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.414 ' CD2' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -84.26 -46.12 12.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -175.73 151.41 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.622 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 4.1 ptt? -147.81 162.64 38.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.622 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 5.5 m170 87.1 9.25 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.558 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.4 OUTLIER 161.98 -167.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.577 HG23 ' CZ ' ' A' ' 70' ' ' PHE . 40.2 t -133.49 81.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.9 m120 -78.78 81.14 5.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 83' ' ' ASN . 1.4 p -36.69 -55.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.1 -44.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 110.0 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER -67.82 -62.29 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 86' ' ' LYS . 8.9 tp -39.45 -66.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -43.64 -54.95 4.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.94 -53.62 6.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 86' ' ' LYS . 3.2 mp0 -56.5 -54.14 49.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 91.6 mt -41.95 -59.18 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -37.63 -52.86 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -138.81 119.32 13.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.457 ' CD1' HD13 ' A' ' 72' ' ' LEU . 5.6 mt -126.65 -72.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.4 p 60.47 152.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.0 164.96 37.11 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.559 1.162 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 126.94 10.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.531 1.806 . . . . 0.0 111.03 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.2 p -56.65 158.04 4.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.1 t -66.43 -59.65 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 t 64.57 142.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 0.759 . . . . 0.0 109.966 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t 66.04 121.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 0.0 110.037 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.42 74.26 0.02 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.436 1.085 . . . . 0.0 111.043 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 p -175.02 102.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 110.05 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.9 -52.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.965 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.43 167.86 2.0 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.099 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -132.34 -179.29 5.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 0.761 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.452 ' CD2' ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -160.15 151.04 18.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.6 p -146.2 165.49 29.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.98 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.6 172.51 11.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.9 m -134.71 123.53 23.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.99 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -179.42 132.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.84 158.89 15.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -163.45 140.17 7.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.5 mt -105.81 157.33 34.92 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 163.62 34.96 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.47 1.774 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.0 t -106.76 115.54 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.599 HD22 ' CE1' ' A' ' 44' ' ' PHE . 7.9 tp -100.66 112.21 24.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.416 ' HB ' ' HB2' ' A' ' 71' ' ' HIS . 3.2 m -79.6 109.6 14.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.415 ' CB ' HD13 ' A' ' 46' ' ' LEU . 5.7 tp -103.01 122.18 44.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.24 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.564 ' CD1' ' HB ' ' A' ' 49' ' ' VAL . 70.9 m-85 -110.38 99.52 8.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.459 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -105.43 172.23 6.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.408 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.485 ' CE ' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -163.25 -176.52 4.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.518 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -156.7 144.25 13.93 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.03 135.55 41.03 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.0 0.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.406 ' N ' ' HA ' ' A' ' 25' ' ' ALA . 0.8 OUTLIER -161.78 109.53 1.18 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 108.305 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.95 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 30' ' ' CYS . 10.4 mp -58.09 -63.63 1.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 59.7 m -41.75 -41.4 2.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 108.283 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -65.23 -61.48 2.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -51.98 -48.21 64.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.339 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.466 ' HB2' ' CG2' ' A' ' 82' ' ' VAL . . . -37.79 -61.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -46.44 -50.59 16.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -54.76 -26.98 37.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 33' ' ' ALA . 18.0 t -82.91 -19.8 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.432 HD12 ' CE2' ' A' ' 70' ' ' PHE . 14.0 mt -99.55 2.39 44.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.481 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -51.18 -52.77 55.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.05 -0.6 10.19 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.415 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 96.6 m-85 -119.06 19.97 12.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 44' ' ' PHE . 78.4 mttt -77.91 -53.73 7.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -72.96 -12.9 61.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.497 ' CZ ' ' HA ' ' A' ' 43' ' ' ARG . 0.5 OUTLIER -67.44 -48.72 66.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.088 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.599 ' CE1' HD22 ' A' ' 19' ' ' LEU . 1.6 p90 -142.03 -174.66 4.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.6 mt -96.1 99.17 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.415 HD13 ' CB ' ' A' ' 21' ' ' LEU . 41.1 tp -75.54 107.61 7.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -93.76 98.22 10.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.81 105.37 10.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.564 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 89.3 t -96.79 130.69 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -91.49 102.66 15.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.465 ' CD1' HD11 ' A' ' 67' ' ' ILE . 17.3 pt -80.0 -23.7 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 13.3 p -61.59 -13.66 23.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.385 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.9 mt -76.25 158.41 81.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -44.58 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.07 -16.85 62.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -112.31 6.95 19.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.4 t -48.77 -23.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.9 m -69.49 -41.81 75.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.4 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.493 ' CE3' ' HD3' ' A' ' 62' ' ' ARG . 43.5 m95 -63.41 -30.72 71.81 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.578 ' CD1' ' HB3' ' A' ' 64' ' ' LYS . 36.4 t80 -82.98 -51.31 7.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -51.74 -20.31 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.527 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 12.8 ptm180 -102.01 -32.5 10.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.267 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.527 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 21.9 m-85 -133.5 74.71 1.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 1.1 pttt -112.83 -7.41 13.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -135.88 15.29 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -114.87 -45.73 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.502 ' HA ' ' C ' ' A' ' 68' ' ' PRO . 1.1 pt -35.53 155.64 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.98 131.6 24.76 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.038 -2.484 . . . . 0.0 111.008 -0.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.574 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 92.7 t -101.03 143.57 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.591 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 93.5 m-85 -127.61 121.99 31.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.574 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 42.8 m170 -115.25 119.37 36.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.63 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.451 ' CD2' HD11 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -106.23 120.65 42.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 62.58 53.47 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 48.68 41.02 26.2 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -155.06 119.65 4.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.756 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.574 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -41.35 116.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.481 HD22 ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -93.17 -43.04 9.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -178.52 151.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.62 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 4.0 ptt? -149.18 162.93 39.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.62 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 5.5 m170 87.77 10.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.601 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.459 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 161.58 -169.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.591 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 40.4 t -132.67 83.57 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 86' ' ' LYS . 4.6 m-20 -85.79 80.43 8.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 83' ' ' ASN . 32.5 p -36.24 -50.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.3 OUTLIER -38.54 -46.61 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -68.13 -59.58 3.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.6 tp -45.95 -65.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.65 -53.37 2.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -45.88 -54.04 8.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 91' ' ' LEU . 34.3 mm-40 -58.82 -54.77 43.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 90' ' ' GLN . 20.6 mt -39.39 -59.53 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.9 mtp-105 -39.9 -59.13 1.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -130.4 121.89 26.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.451 HD11 ' CD2' ' A' ' 72' ' ' LEU . 5.4 mt -131.22 -64.01 0.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.44 144.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 175.21 -179.09 46.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 99' ' ' SER . 18.3 Cg_endo -75.02 -35.65 2.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.442 1.759 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.3 t 69.65 -65.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.981 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 97' ' ' PRO . 0.4 OUTLIER 58.42 96.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 110.009 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.71 100.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 0.729 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.72 152.83 22.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.41 -133.87 3.41 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 p -148.64 165.03 32.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.54 154.01 23.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.969 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.49 167.05 37.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -156.61 104.84 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.781 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -168.62 110.31 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.34 89.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.035 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.33 166.07 25.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -160.03 93.6 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.044 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -141.61 103.79 4.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.253 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.45 141.69 30.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.63 123.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.1 mt -90.1 157.36 45.63 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.098 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 154.18 42.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.449 1.763 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -98.52 110.25 25.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.598 HD22 ' CE1' ' A' ' 44' ' ' PHE . 7.1 tp -94.71 112.07 23.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -79.35 115.48 19.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 110.406 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.6 tp -111.14 122.87 49.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.792 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 83.5 m-85 -111.35 109.81 19.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -121.51 157.82 29.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.35 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.508 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 1.4 ptmt -147.14 120.32 8.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.504 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -87.68 137.94 31.78 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.02 164.62 87.97 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.959 0.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 24' ' ' LYS . 1.9 p -171.02 107.84 0.41 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 108.312 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -27.03 10.44 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.454 1.765 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.446 ' C ' ' N ' ' A' ' 31' ' ' ASP . 16.2 mt -85.74 -66.3 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 57.1 m -43.34 -28.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 108.291 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.446 ' N ' ' C ' ' A' ' 29' ' ' LEU . 2.0 t0 -71.59 -50.72 28.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -68.13 -43.57 78.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.473 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . . . -40.96 -59.26 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -46.76 -51.11 17.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -54.73 -25.57 28.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' ALA . 11.3 t -82.1 -18.49 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.464 ' CD2' HG12 ' A' ' 82' ' ' VAL . 15.0 mt -100.69 -1.12 36.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -49.8 -51.96 55.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.4 Cg_endo -74.96 0.11 9.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.467 1.772 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.448 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 97.7 m-85 -118.71 13.43 13.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 44' ' ' PHE . 2.0 mtpt -69.59 -50.84 40.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.16 -8.01 56.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -73.79 -36.04 64.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.598 ' CE1' HD22 ' A' ' 19' ' ' LEU . 1.4 p90 -156.32 -175.64 5.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.9 mt -96.14 99.64 9.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 42.5 tp -75.76 106.99 7.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -93.62 98.16 10.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.243 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.62 105.39 10.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.561 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 96.1 t -93.42 142.85 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.44 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -102.83 102.92 13.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.566 HD12 ' CD2' ' A' ' 60' ' ' TYR . 24.6 pt -79.91 -17.49 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 36.1 p -69.49 -7.14 35.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.7 mt -82.6 160.04 62.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -39.86 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -74.22 -12.24 60.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 93.7 m-20 -113.41 7.18 17.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.3 t -51.91 -20.78 2.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 m -74.07 -36.9 64.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.393 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.792 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 74.7 m95 -70.13 -12.97 61.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 107.995 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.566 ' CD2' HD12 ' A' ' 51' ' ' ILE . 32.4 t80 -95.0 -57.18 2.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.72 -20.28 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.256 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.57 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 11.0 ptm180 -97.17 -32.04 12.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.57 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 23.4 m-85 -136.58 69.98 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.427 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.7 OUTLIER -106.18 -13.81 15.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -140.35 12.28 2.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.443 ' HB3' ' NE2' ' A' ' 80' ' ' HIS . 0.7 OUTLIER -123.45 27.7 7.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.537 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 0.3 OUTLIER -103.47 163.92 16.48 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.537 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.2 Cg_endo -75.04 151.93 97.5 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.975 0.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.476 HG11 ' CD2' ' A' ' 71' ' ' HIS . 57.6 t -107.3 149.17 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.586 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 97.7 m-85 -137.37 118.05 14.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.566 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 36.0 m170 -112.4 118.76 36.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.593 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.439 ' HG ' ' CD1' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -105.27 115.44 30.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.53 29.37 3.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.31 37.5 63.07 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.075 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 76' ' ' PHE . 2.0 mt-30 -149.13 116.0 5.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 0.73 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.566 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -36.45 104.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 111.032 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.475 HD22 ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -82.67 -42.1 18.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.436 ' HA ' ' CE1' ' A' ' 76' ' ' PHE . 9.3 ptt? -177.71 150.16 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.538 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 3.3 ptt? -144.74 160.47 41.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.538 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 4.1 m170 87.85 9.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.622 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 158.47 -169.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.586 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 10.3 t -128.46 87.87 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 84' ' ' THR . 29.9 m-20 -82.38 78.39 9.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.087 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 83' ' ' ASN . 78.0 p -36.61 -50.79 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.425 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.1 m -40.38 -49.59 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -65.94 -57.67 7.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.414 HD21 ' CD1' ' A' ' 40' ' ' TYR . 13.2 tp -46.93 -64.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -43.77 -54.9 4.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -46.97 38.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 91' ' ' LEU . 38.9 mm-40 -62.81 -57.73 9.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' GLN . 18.9 mt -38.85 -59.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -38.59 -58.66 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 110.314 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -106.17 91.59 3.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.405 ' CD2' ' CD1' ' A' ' 72' ' ' LEU . 11.0 tp -168.06 -59.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.1 m -155.65 87.69 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.961 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -141.95 -144.75 4.41 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 156.05 42.95 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.2 t -132.73 -55.95 0.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.1 t -151.12 134.44 16.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.967 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 110.982 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.0 t -167.59 151.43 6.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.016 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.33 170.3 4.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 110.004 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.98 156.09 26.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.05 139.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 0.736 . . . . 0.0 109.965 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -121.93 124.78 44.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.6 134.4 4.61 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -170.36 105.55 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.5 tp -79.94 148.19 31.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.4 m -120.2 143.43 48.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -174.87 159.5 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.4 p -168.34 118.26 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -119.22 164.33 15.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.17 138.29 21.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.252 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 63.87 138.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.5 mt -108.72 157.8 35.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.468 ' CB ' HD22 ' A' ' 94' ' ' LEU . 18.1 Cg_endo -75.06 157.95 42.23 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.557 1.82 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.1 t -100.64 112.29 32.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.592 HD21 ' CE1' ' A' ' 44' ' ' PHE . 6.1 tp -95.91 112.95 24.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -79.97 118.51 21.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.41 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.444 ' CD2' ' HG3' ' A' ' 48' ' ' GLU . 5.1 tp -113.38 123.85 51.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.451 ' CE1' ' CD2' ' A' ' 59' ' ' TRP . 66.3 m-85 -111.41 106.79 15.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.09 160.83 21.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.444 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.527 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 0.6 OUTLIER -152.72 120.17 5.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.509 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -86.04 137.67 35.2 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.99 163.32 90.98 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.016 -0.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.527 ' HB3' ' O ' ' A' ' 24' ' ' LYS . 2.7 p -172.48 109.79 0.36 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 108.328 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -38.03 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.783 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 32' ' ' GLU . 5.3 mp -74.6 -65.81 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.414 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 37.5 m -41.41 -30.03 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 108.29 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.442 ' N ' ' C ' ' A' ' 29' ' ' LEU . 4.7 m-20 -72.69 -53.36 11.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -65.14 -41.23 94.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.267 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.486 ' HB1' ' CG2' ' A' ' 82' ' ' VAL . . . -43.2 -59.23 2.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -46.35 -50.11 16.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -55.4 -28.94 57.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 33' ' ' ALA . 8.9 t -79.53 -17.28 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.437 HD11 ' CD2' ' A' ' 19' ' ' LEU . 16.0 mt -103.23 -6.93 21.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.512 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -46.91 -50.96 42.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.2 Cg_endo -75.06 2.77 6.29 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.571 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 97.1 m-85 -121.91 6.83 9.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -60.5 -41.4 94.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.83 -14.55 44.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -70.27 -20.5 63.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.592 ' CE1' HD21 ' A' ' 19' ' ' LEU . 1.9 p90 -172.71 177.48 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.06 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.6 mt -92.6 100.73 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.3 tp -76.58 108.53 9.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -93.57 98.22 11.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.444 ' HG3' ' CD2' ' A' ' 21' ' ' LEU . 2.1 mt-10 -80.25 106.41 12.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.438 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 76.4 t -93.93 143.27 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.92 102.39 12.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.557 HD13 ' CD2' ' A' ' 60' ' ' TYR . 21.5 pt -76.98 -24.04 15.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.8 p -60.33 -14.03 16.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.398 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.2 mt -74.63 153.18 87.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -32.71 5.14 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -75.79 -11.3 59.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' SER . 96.5 m-20 -114.38 7.35 16.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.1 OUTLIER -39.54 -40.79 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -56.6 -53.11 61.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.359 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.654 ' CZ3' ' NH1' ' A' ' 62' ' ' ARG . 24.9 m95 -47.81 -39.27 17.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.167 . . . . 0.0 108.006 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.587 ' CD1' ' HB3' ' A' ' 64' ' ' LYS . 8.0 t80 -77.07 -49.36 15.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -56.56 -16.6 6.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.328 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.654 ' NH1' ' CZ3' ' A' ' 59' ' ' TRP . 6.0 ptp180 -105.57 -28.45 10.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.227 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.568 ' CE2' ' HD2' ' A' ' 62' ' ' ARG . 19.1 m-85 -136.74 74.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.059 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.587 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -110.82 -18.32 13.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -134.76 10.46 3.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.517 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -120.62 29.61 7.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.512 ' CD1' ' HD3' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -108.41 162.16 20.92 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.496 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.5 Cg_endo -74.94 149.67 94.22 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.011 -0.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.578 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 73.6 t -107.46 152.83 8.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.593 ' CZ ' HG23 ' A' ' 82' ' ' VAL . 96.9 m-85 -138.37 124.15 19.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.578 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 31.4 m170 -115.71 118.11 32.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.581 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.479 ' HG ' ' CD1' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -104.5 111.39 24.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 73.21 28.87 1.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.97 40.61 56.81 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -151.92 119.8 6.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 0.746 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.542 ' CE1' ' HE3' ' A' ' 79' ' ' MET . 1.0 OUTLIER -39.55 102.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.423 ' CD2' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -83.23 -42.93 16.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -176.71 149.48 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.542 ' HE3' ' CE1' ' A' ' 76' ' ' PHE . 3.1 ptt? -144.79 158.17 43.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.523 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 3.4 m170 87.93 9.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.573 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 162.69 -170.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.593 HG23 ' CZ ' ' A' ' 70' ' ' PHE . 21.3 t -129.61 84.14 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -75.4 77.65 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.8 p -38.08 -53.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.7 m -40.28 -52.72 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.977 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -61.76 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.408 HD22 ' CD2' ' A' ' 40' ' ' TYR . 10.5 tp -40.12 -68.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -42.85 -54.28 4.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.298 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.39 -48.31 7.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 91' ' ' LEU . 34.8 mm-40 -65.99 -52.6 47.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 90' ' ' GLN . 27.9 mt -37.56 -60.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 60.1 mtt-85 -40.86 -62.79 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.6 90.24 4.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.477 ' CD2' HD11 ' A' ' 72' ' ' LEU . 11.3 tp -161.64 -64.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.46 151.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.043 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -50.93 -177.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 59.65 5.25 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.53 1.805 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 56.7 m -152.83 77.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.013 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.23 -58.65 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t 179.54 114.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.6 t -161.14 141.98 11.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.72 139.92 3.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 m -170.42 118.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 109.988 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 m -143.39 149.92 38.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.958 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.11 -168.93 20.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.6 t30 178.23 142.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -165.13 167.84 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.3 m 57.13 166.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -123.51 156.57 35.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.1 p -105.33 124.37 49.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.162 . . . . 0.0 110.063 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -107.89 162.04 14.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.26 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -158.54 134.75 9.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 68.69 123.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.2 mt -100.54 157.07 34.43 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 163.21 35.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 84.4 t -106.22 113.77 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.582 HD23 ' CE1' ' A' ' 44' ' ' PHE . 5.7 tp -99.79 112.19 24.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -77.98 124.15 27.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 tp -117.54 122.25 43.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.813 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 81.0 m-85 -112.43 104.86 13.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.79 168.89 9.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.372 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.53 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 3.9 pttt -159.68 121.38 3.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.517 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -88.02 138.43 30.95 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -74.96 165.23 86.46 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.967 -0.023 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 24' ' ' LYS . 3.8 p -173.78 104.17 0.3 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 108.32 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -24.02 13.23 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' GLU . 16.9 mt -86.04 -65.12 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.0 m -44.88 -37.13 3.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 108.248 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -63.6 -46.2 86.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -71.41 -46.63 59.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.485 ' HB2' ' CG2' ' A' ' 82' ' ' VAL . . . -37.38 -58.31 0.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -46.51 -50.19 17.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 32' ' ' GLU . 10.2 mt-10 -55.17 -27.76 48.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 33' ' ' ALA . 16.2 t -80.05 -18.3 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.418 HD11 ' CE2' ' A' ' 70' ' ' PHE . 16.7 mt -102.04 14.49 31.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.515 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -64.85 -50.94 60.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.03 2.1 7.02 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.452 ' HA ' ' CG ' ' A' ' 43' ' ' ARG . 85.7 m-85 -122.35 1.13 9.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -30.51 64.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.351 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -94.4 -18.47 21.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.452 ' CG ' ' HA ' ' A' ' 40' ' ' TYR . 6.1 mmp_? -67.77 -11.54 58.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.582 ' CE1' HD23 ' A' ' 19' ' ' LEU . 3.0 p90 179.23 174.72 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.9 mt -92.25 100.11 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 58.4 tp -71.92 111.43 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.433 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.69 103.25 15.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 110.288 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -83.23 100.11 10.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.497 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 91.5 t -93.88 137.28 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -97.64 102.85 14.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.536 HD13 ' CD2' ' A' ' 60' ' ' TYR . 15.4 pt -78.11 -19.65 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 15.7 p -65.8 -9.49 28.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.362 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.0 mt -80.77 160.41 66.7 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -42.42 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.444 1.76 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.83 -24.85 65.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -101.29 7.49 42.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.5 t -50.67 -21.75 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -70.64 -46.64 62.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.381 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.813 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 80.6 m95 -63.57 -15.98 59.57 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.536 ' CD2' HD13 ' A' ' 51' ' ' ILE . 39.1 t80 -92.17 -56.86 2.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -51.76 -19.88 1.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.569 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 10.2 ptm180 -96.87 -35.57 10.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.569 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 22.4 m-85 -131.34 67.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.55 -14.98 17.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -139.85 11.7 2.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.519 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -121.95 34.07 5.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.511 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -109.0 162.77 18.8 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.511 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.96 150.4 95.4 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.996 -0.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.533 HG22 ' CG ' ' A' ' 63' ' ' TYR . 66.2 t -108.73 150.01 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.251 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.584 ' CZ ' HG23 ' A' ' 82' ' ' VAL . 96.7 m-85 -137.49 117.79 13.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.148 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.572 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 27.7 m170 -110.24 119.74 40.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.584 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.403 ' CD1' ' CD2' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -105.09 118.2 35.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.412 ' ND2' ' HG ' ' A' ' 94' ' ' LEU . 9.8 m-80 62.61 54.49 2.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 49.76 41.25 35.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -156.08 120.72 4.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 110.318 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.572 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.2 OUTLIER -42.81 119.83 1.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.475 HD21 ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -96.95 -44.65 6.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.8 ptt? -174.32 149.41 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.491 ' O ' ' CB ' ' A' ' 80' ' ' HIS . 2.3 ptt? -143.36 158.51 43.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.491 ' CB ' ' O ' ' A' ' 79' ' ' MET . 2.3 m170 87.97 10.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.614 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 3.2 mtt85 160.25 -169.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.342 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.584 HG23 ' CZ ' ' A' ' 70' ' ' PHE . 15.8 t -129.68 80.46 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' THR . 23.9 m120 -74.04 77.92 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ASN . 80.5 p -37.8 -51.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.4 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.35 -47.37 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.991 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.36 -59.46 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.7 tp -42.12 -66.39 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -45.92 -52.54 11.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.27 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -50.3 -38.72 42.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 91' ' ' LEU . 69.6 mm-40 -72.78 -55.8 6.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.075 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 90' ' ' GLN . 17.9 mt -39.7 -60.88 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -39.26 -62.12 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.94 99.88 10.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.412 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 7.9 tp -171.02 -67.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 41.63 80.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.04 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.401 ' HA2' ' HD3' ' A' ' 97' ' ' PRO . . . -52.95 142.12 27.76 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.114 . . . . 0.0 111.049 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.401 ' HD3' ' HA2' ' A' ' 96' ' ' GLY . 18.4 Cg_endo -74.95 75.44 3.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 44.59 90.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.06 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 73.8 m 64.62 83.39 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.981 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.485 1.115 . . . . 0.0 111.03 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 p -152.25 80.62 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 0.803 . . . . 0.0 109.955 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.61 90.54 5.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.59 87.57 1.0 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -140.91 103.94 4.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.004 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 p -175.06 146.69 0.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.981 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.14 68.29 0.15 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' SER . 1.0 OUTLIER 55.5 103.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mt 68.2 -69.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 8' ' ' ASN . 21.3 t 65.77 95.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.032 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 13' ' ' ASN . . . -178.54 79.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 m 63.86 -77.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' ALA . 75.7 m-20 -40.98 143.04 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.94 99.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.253 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 63.3 119.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.6 mt -89.56 157.31 47.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.454 ' HB2' ' CD2' ' A' ' 72' ' ' LEU . 18.4 Cg_endo -74.98 169.59 22.29 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.453 1.765 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -111.47 109.88 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.578 HD21 ' CE1' ' A' ' 44' ' ' PHE . 7.0 tp -93.86 110.07 21.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.427 HG22 ' CZ ' ' A' ' 22' ' ' PHE . 3.1 m -81.26 101.07 9.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.352 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 47' ' ' GLN . 3.5 tp -93.22 118.33 31.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.55 ' CD1' ' HB ' ' A' ' 49' ' ' VAL . 70.7 m-85 -105.48 100.94 10.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -117.76 173.53 6.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.437 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.466 ' HB2' ' CG2' ' A' ' 52' ' ' THR . 1.9 ptmt -151.39 -174.04 4.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.472 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -142.04 131.16 12.19 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.472 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -74.99 165.61 85.49 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.025 -2.489 . . . . 0.0 110.967 0.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 24' ' ' LYS . 28.5 p -152.89 98.94 2.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 108.284 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -31.75 5.97 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.542 ' N ' ' CD1' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -81.44 -65.41 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 29' ' ' LEU . 35.2 m -41.26 -42.73 2.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 108.333 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.4 -49.5 34.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -75.9 -48.29 21.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.49 ' HB2' ' CG2' ' A' ' 82' ' ' VAL . . . -37.94 -58.83 0.89 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -46.25 -51.52 14.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -54.03 -27.27 31.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 33' ' ' ALA . 14.3 t -79.59 -17.96 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.41 HD12 ' CE2' ' A' ' 70' ' ' PHE . 12.0 mt -100.73 14.06 32.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.503 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -62.78 -50.98 75.1 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -74.99 -4.69 15.78 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.502 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 88.6 m-85 -117.81 14.74 14.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -31.03 68.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -99.83 -14.12 18.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.469 ' CG ' ' HA ' ' A' ' 40' ' ' TYR . 5.4 mmp_? -65.89 -21.73 66.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.578 ' CE1' HD21 ' A' ' 19' ' ' LEU . 1.6 p90 -168.09 -179.23 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.4 mt -95.04 99.55 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.446 ' CD1' HD22 ' A' ' 19' ' ' LEU . 36.4 tp -75.47 106.03 6.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' LEU . 10.5 tt0 -93.8 98.52 11.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -78.56 101.27 7.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.55 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 82.6 t -89.61 138.9 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.413 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 37.1 m-20 -96.24 103.28 15.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.443 ' CD1' ' CD1' ' A' ' 67' ' ' ILE . 14.7 pt -83.84 -11.01 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 60.4 p -75.78 -6.29 49.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.41 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.3 mt -83.47 159.86 60.55 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.89 2.31 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.483 1.78 . . . . 0.0 111.033 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -72.63 -22.31 60.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 88.8 m-20 -105.93 0.39 25.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.5 t -44.72 -27.27 0.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.1 m -64.48 -45.46 87.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.495 ' CE3' ' HD3' ' A' ' 62' ' ' ARG . 52.9 m95 -61.44 -27.5 68.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 107.999 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.58 ' CD1' ' HB3' ' A' ' 64' ' ' LYS . 38.4 t80 -83.51 -53.61 5.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -50.78 -21.16 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.569 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 9.8 ptm180 -100.33 -33.37 10.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.569 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 23.1 m-85 -134.79 75.05 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 2.6 pttt -113.14 -7.6 13.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.416 ' CD2' ' HG3' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -135.63 12.36 3.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -112.18 -43.59 3.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.509 ' HA ' ' C ' ' A' ' 68' ' ' PRO . 1.0 OUTLIER -35.94 155.15 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.4 Cg_endo -74.91 131.31 23.75 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.968 -2.513 . . . . 0.0 111.029 -0.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.578 HG13 ' CD2' ' A' ' 71' ' ' HIS . 92.5 t -103.32 123.43 56.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.582 ' CE1' HG23 ' A' ' 82' ' ' VAL . 93.5 m-85 -104.74 122.73 46.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.59 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 43.9 m170 -115.48 120.72 40.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.614 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -109.27 117.16 33.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.423 ' ND2' ' HG ' ' A' ' 94' ' ' LEU . 1.1 m-80 65.34 45.21 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.64 31.56 57.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -141.83 112.11 6.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.59 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -36.35 109.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.52 -44.75 12.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.1 ptt? -178.69 152.22 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.593 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 4.3 ptt? -149.31 160.67 43.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.593 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 5.1 m170 87.36 9.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.613 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.1 OUTLIER 163.68 -175.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.582 HG23 ' CE1' ' A' ' 70' ' ' PHE . 34.2 t -128.65 79.99 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.9 OUTLIER -80.57 81.97 6.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.261 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 85' ' ' SER . 18.0 p -37.42 -55.2 1.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.394 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.2 OUTLIER -36.11 -38.75 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.983 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -76.22 -60.99 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.462 HD21 ' CD1' ' A' ' 40' ' ' TYR . 5.5 tp -42.6 -64.54 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -43.55 -57.23 3.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.09 -55.64 5.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 91' ' ' LEU . 1.7 mp0 -53.27 -56.91 12.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.447 ' CD1' HD11 ' A' ' 87' ' ' LEU . 14.0 mt -38.15 -61.49 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 91' ' ' LEU . 11.4 mtt85 -38.01 -61.95 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.453 ' O ' ' CG ' ' A' ' 93' ' ' LYS . 0.9 OUTLIER -96.88 83.71 3.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.423 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 5.4 tp -162.48 -62.06 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.5 m -42.38 141.38 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -166.42 156.99 29.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -43.84 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.1 p -166.09 125.83 1.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 110.013 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.46 163.81 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.979 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 -179.98 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.41 145.97 29.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 0.779 . . . . 0.0 110.0 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.2 m -97.84 161.19 13.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.051 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.09 179.61 16.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.86 160.1 40.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 0.748 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.14 165.87 34.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.68 165.27 16.51 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -160.31 144.82 14.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 0.719 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.1 mp -114.4 173.31 6.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.14 131.16 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -140.26 136.11 32.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.65 166.98 23.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -159.14 139.79 12.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.09 169.24 17.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 64.04 122.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.5 mt -93.29 156.91 39.61 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.25 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 162.09 37.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.539 1.81 . . . . 0.0 110.947 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.5 t -104.56 122.25 57.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.588 HD22 ' CE1' ' A' ' 44' ' ' PHE . 7.2 tp -109.17 114.72 28.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -78.75 126.75 31.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.405 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.425 HD21 ' CD2' ' A' ' 46' ' ' LEU . 2.4 tp -121.43 122.95 40.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.478 ' CE1' ' CD2' ' A' ' 59' ' ' TRP . 78.3 m-85 -110.64 104.13 12.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.479 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 1.6 t -119.47 151.26 38.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.381 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.504 ' HD3' ' CD1' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -144.35 120.45 10.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.506 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -86.27 138.17 34.49 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.99 163.27 91.1 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.024 -0.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 24' ' ' LYS . 1.8 p -170.97 111.87 0.42 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 108.319 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -33.24 4.77 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.449 ' C ' ' N ' ' A' ' 31' ' ' ASP . 3.9 mm? -82.1 -68.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.479 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 35.2 m -41.03 -29.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 108.303 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.449 ' N ' ' C ' ' A' ' 29' ' ' LEU . 5.6 t70 -73.4 -57.06 4.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -63.45 -44.8 93.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 36' ' ' VAL . . . -39.19 -59.62 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.4 -52.0 10.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -53.73 -28.47 34.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 33' ' ' ALA . 13.9 t -78.75 -19.82 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.463 ' CD2' HG12 ' A' ' 82' ' ' VAL . 13.2 mt -99.08 18.32 17.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.509 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -67.03 -51.24 37.87 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.258 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -74.98 -0.46 9.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.555 1.818 . . . . 0.0 111.035 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.407 ' CE2' ' HG2' ' A' ' 39' ' ' PRO . 81.9 m-85 -120.69 6.92 10.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -34.69 78.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.91 -18.18 25.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.415 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 12.4 mmp_? -65.87 -14.79 62.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.588 ' CE1' HD22 ' A' ' 19' ' ' LEU . 2.1 p90 -178.55 175.96 1.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.4 mt -92.68 99.78 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.425 ' CD2' HD21 ' A' ' 21' ' ' LEU . 55.3 tp -71.57 112.6 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.428 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.38 102.93 15.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -84.19 99.76 10.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.0 t -90.96 144.12 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.11 102.87 12.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.567 HD13 ' CD2' ' A' ' 60' ' ' TYR . 18.5 pt -77.67 -24.65 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 11.8 p -60.58 -14.19 18.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.3 mt -76.0 159.44 80.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -47.2 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.427 1.751 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -59.52 -24.29 63.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -103.86 7.08 36.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.0 t -42.63 -31.01 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.975 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.2 m -67.99 -50.69 54.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.376 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.635 ' CZ3' ' NH1' ' A' ' 62' ' ' ARG . 21.6 m95 -49.14 -31.99 9.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 107.972 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.585 ' CD1' ' HB3' ' A' ' 64' ' ' LYS . 18.6 t80 -82.85 -50.93 8.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -53.49 -18.41 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.635 ' NH1' ' CZ3' ' A' ' 59' ' ' TRP . 9.6 ptp180 -103.26 -31.61 9.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.578 ' CE2' ' HD2' ' A' ' 62' ' ' ARG . 23.5 m-85 -134.3 74.4 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.585 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -110.68 -13.92 14.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.476 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 2.5 p90 -139.26 10.81 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.517 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -121.66 31.37 6.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.348 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.512 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -108.88 162.93 18.23 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.351 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.512 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -75.02 150.12 94.9 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.995 0.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.571 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 71.7 t -108.43 151.86 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.629 ' CZ ' ' CG2' ' A' ' 82' ' ' VAL . 97.1 m-85 -137.76 123.13 19.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.571 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 35.1 m170 -114.79 122.23 45.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.606 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.44 ' HG ' ' CD1' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -107.35 113.58 27.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.419 ' ND2' ' HG ' ' A' ' 94' ' ' LEU . 2.7 m-80 66.54 54.42 0.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 50.33 41.35 39.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -156.26 121.84 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 110.299 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.504 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -43.99 120.83 2.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.989 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.4 ' CB ' ' HB2' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -98.25 -42.63 7.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.3 ptt? -176.46 150.2 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.503 ' SD ' ' NE2' ' A' ' 80' ' ' HIS . 2.1 ptt? -144.72 159.1 43.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.939 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.503 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 2.5 m170 88.19 9.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.584 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 4.6 mtt-85 160.46 -170.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.629 ' CG2' ' CZ ' ' A' ' 70' ' ' PHE . 86.8 t -127.27 83.19 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 84' ' ' THR . 74.8 m-20 -73.99 74.73 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 83' ' ' ASN . 41.5 p -36.15 -55.52 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.378 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.3 OUTLIER -38.65 -47.47 1.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.041 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -66.58 -60.98 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.4 tp -42.19 -66.06 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -44.55 -54.99 5.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.03 -41.93 17.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 91' ' ' LEU . 37.8 mm-40 -69.27 -57.89 4.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 90' ' ' GLN . 17.0 mt -37.8 -57.56 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -43.06 -56.8 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -109.18 93.38 4.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.419 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 12.8 tp -170.06 -61.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.69 158.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.055 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.75 -157.19 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -45.35 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.77 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.35 162.32 24.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.46 -57.7 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.469 1.105 . . . . 0.0 111.039 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -133.84 83.89 2.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 0.802 . . . . 0.0 110.036 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.56 165.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.984 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.44 118.05 0.83 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.3 p -135.64 168.25 19.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 109.993 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.85 160.32 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.52 -173.87 13.19 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.69 166.1 9.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 0.798 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.57 154.76 27.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.71 153.32 45.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.959 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -114.43 -59.03 2.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t 52.83 86.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -132.51 154.86 49.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -150.56 132.56 15.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 68.14 122.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.7 mt -96.19 157.11 36.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 164.03 34.11 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -107.06 114.72 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.596 HD23 ' CE1' ' A' ' 44' ' ' PHE . 7.0 tp -102.81 113.87 27.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 m -77.64 125.94 30.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.426 HD21 ' CD2' ' A' ' 46' ' ' LEU . 1.7 tp -118.26 119.52 34.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.535 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 69.4 m-85 -109.1 100.59 9.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.462 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -112.39 173.54 6.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.489 ' HB2' ' CG2' ' A' ' 52' ' ' THR . 0.0 OUTLIER -162.78 -176.91 5.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.515 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -153.22 144.44 16.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.98 137.88 52.89 Favored 'Cis proline' 0 C--N 1.359 1.108 0 C-N-CA 121.057 -2.476 . . . . 0.0 110.966 0.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -165.74 107.59 0.74 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 108.29 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -44.03 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.537 1.809 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.1 mt -46.43 -62.83 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.447 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 71.1 m -42.76 -61.06 1.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 108.314 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -44.77 -54.46 6.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -57.06 -54.24 49.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.339 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 32' ' ' GLU . . . -36.61 -57.32 0.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -46.8 -50.61 18.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' GLU . 9.2 mt-10 -54.23 -26.2 27.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.474 ' CG1' HG11 ' A' ' 82' ' ' VAL . 12.1 t -82.7 -17.47 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.453 HD12 ' CE2' ' A' ' 70' ' ' PHE . 15.5 mt -102.4 0.31 33.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.49 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -50.33 -52.3 55.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.2 Cg_endo -74.98 0.6 8.7 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.511 1.795 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.413 ' CD1' HD22 ' A' ' 87' ' ' LEU . 98.0 m-85 -119.3 14.22 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 44' ' ' PHE . 14.1 mttt -70.85 -46.66 62.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.8 -9.66 59.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -72.81 -29.18 63.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.596 ' CE1' HD23 ' A' ' 19' ' ' LEU . 1.5 p90 -164.28 -179.28 5.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.2 mt -94.05 97.73 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.426 ' CD2' HD21 ' A' ' 21' ' ' LEU . 50.2 tp -72.01 111.7 7.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.65 102.79 15.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.117 . . . . 0.0 110.31 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -82.91 99.55 9.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.417 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 83.9 t -93.27 134.18 31.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.345 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.27 103.27 15.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.559 HD11 ' CD2' ' A' ' 60' ' ' TYR . 11.5 pt -80.8 -18.82 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.489 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 34.4 p -64.2 -11.77 34.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.1 mt -81.28 158.99 68.66 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -45.11 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.799 . . . . 0.0 111.003 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -63.6 -21.68 66.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -105.67 -0.02 25.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 60' ' ' TYR . 40.9 t -40.17 -47.78 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.027 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.0 m -44.45 -48.74 10.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.535 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 54.2 m95 -55.93 -39.44 71.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.579 ' CD1' ' HB3' ' A' ' 64' ' ' LYS . 21.1 t80 -74.14 -52.8 11.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -51.12 -25.0 4.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.551 ' NE ' ' CE2' ' A' ' 63' ' ' TYR . 8.1 ptm180 -97.61 -28.18 14.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.327 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.551 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 23.4 m-85 -137.14 72.67 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.579 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 0.4 OUTLIER -109.84 -15.36 14.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.41 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 1.5 p90 -130.18 6.46 4.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.58 1.175 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.48 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -105.45 -46.38 4.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.503 ' HA ' ' C ' ' A' ' 68' ' ' PRO . 5.0 pt -35.77 155.47 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.5 Cg_endo -74.96 133.56 31.94 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.036 -0.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.565 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 77.3 t -103.66 136.8 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.583 ' CE1' HG23 ' A' ' 82' ' ' VAL . 95.7 m-85 -119.73 123.94 44.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.572 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 45.5 m170 -115.48 123.14 47.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.597 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.443 ' CD1' ' CD2' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -109.29 116.91 32.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.416 ' ND2' ' HG ' ' A' ' 94' ' ' LEU . 6.3 m-80 62.88 52.72 2.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 50.79 41.32 43.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.96 118.53 4.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 110.353 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.572 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -42.41 110.86 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.022 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.464 HD21 ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -86.8 -44.8 11.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -177.11 152.21 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.615 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 4.2 ptt? -148.88 160.54 43.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.615 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 5.6 m170 87.37 8.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.615 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' A' ' 80' ' ' HIS . 3.2 ptp180 163.69 -174.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.583 HG23 ' CE1' ' A' ' 70' ' ' PHE . 48.2 t -130.46 80.14 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 84' ' ' THR . 5.7 m-20 -81.26 83.37 6.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 85' ' ' SER . 19.4 p -37.99 -54.24 1.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.1 OUTLIER -36.45 -41.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 109.99 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -59.63 2.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.413 HD22 ' CD1' ' A' ' 40' ' ' TYR . 15.1 tp -47.68 -60.96 2.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -44.4 -55.19 5.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.0 -51.22 24.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 91' ' ' LEU . 33.5 mm-40 -58.31 -59.98 4.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 90' ' ' GLN . 18.0 mt -38.96 -58.96 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -39.87 -59.39 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -103.91 93.08 4.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.443 ' CD2' ' CD1' ' A' ' 72' ' ' LEU . 8.4 tp -171.34 -63.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.88 158.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.032 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -60.6 176.91 3.93 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -39.07 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.41 81.85 8.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.031 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.93 86.74 2.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.959 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 110.961 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.452 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER 163.56 -81.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.972 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.9 p -76.83 -58.7 3.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.028 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.58 -117.92 0.86 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.3 t 57.49 97.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.95 164.39 18.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.99 139.73 6.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -91.79 137.79 32.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 0.743 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.08 111.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.5 168.37 3.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -111.79 162.26 15.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.4 p -99.84 168.25 10.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.046 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -41.56 152.28 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -178.43 142.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.83 128.61 16.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.0 mt -87.35 157.15 53.57 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 162.97 36.17 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.463 1.77 . . . . 0.0 111.019 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.4 t -105.97 111.58 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.586 HD22 ' CE1' ' A' ' 44' ' ' PHE . 5.5 tp -98.73 109.18 21.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.426 ' HB ' ' HB2' ' A' ' 71' ' ' HIS . 12.8 m -78.13 113.14 15.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 22' ' ' PHE . 5.4 tp -104.81 122.78 46.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.618 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 65.8 m-85 -106.19 99.64 9.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -105.97 171.14 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.438 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.48 ' HG2' ' CD1' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -167.46 -176.6 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.516 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -153.0 143.6 15.68 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.92 143.58 78.27 Favored 'Cis proline' 0 C--N 1.359 1.114 0 C-N-CA 121.05 -2.479 . . . . 0.0 111.038 -0.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.408 ' O ' ' SG ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -171.09 100.3 0.41 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 108.322 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -15.06 20.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.479 1.779 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.478 ' N ' ' CD1' ' A' ' 29' ' ' LEU . 3.0 mp -71.88 -51.72 20.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 31' ' ' ASP . 12.3 p -47.35 -41.36 19.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 108.289 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.462 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 2.2 m-20 -62.97 -62.72 1.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -49.86 -54.17 21.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.478 ' HB2' ' CG2' ' A' ' 82' ' ' VAL . . . -40.14 -60.64 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' LEU . 3.1 mttt -46.12 -52.02 12.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -52.93 -25.88 13.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 33' ' ' ALA . 13.3 t -82.29 -22.08 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 34' ' ' LYS . 16.2 mt -98.31 -3.81 36.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.504 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -47.42 -51.55 42.68 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.04 1.74 7.43 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.453 1.765 . . . . 0.0 111.038 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.569 ' CD2' HD22 ' A' ' 87' ' ' LEU . 97.9 m-85 -121.58 9.21 10.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 44' ' ' PHE . 1.4 mmmt -61.86 -46.23 90.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.11 -17.69 42.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -62.39 -28.27 69.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.346 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.586 ' CE1' HD22 ' A' ' 19' ' ' LEU . 1.9 p90 -163.72 -176.79 4.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.1 mt -95.68 99.99 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.5 tp -74.56 105.52 5.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -93.46 98.09 10.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -78.21 103.51 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.6 t -93.58 126.74 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.401 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 1.7 m-20 -87.34 102.91 14.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.46 ' CD1' ' CD1' ' A' ' 67' ' ' ILE . 14.8 pt -80.18 -18.73 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.47 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 30.1 p -70.56 -6.16 34.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.387 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.7 mt -78.76 159.9 73.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -37.58 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.86 -15.89 59.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.335 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 86.7 m-20 -110.57 5.86 21.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.48 -23.31 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.033 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.3 m -67.7 -53.01 31.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.423 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.618 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 59.5 m95 -52.49 -28.3 19.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 108.021 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.572 ' CD1' ' HB3' ' A' ' 64' ' ' LYS . 32.5 t80 -82.51 -53.39 6.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -52.06 -19.84 2.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.575 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -101.07 -32.31 10.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.575 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 24.7 m-85 -136.24 76.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.572 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 4.8 pttt -114.08 -1.71 13.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -140.12 15.53 2.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.402 1.064 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -119.0 -41.58 2.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.496 ' HA ' ' C ' ' A' ' 68' ' ' PRO . 0.9 OUTLIER -36.48 155.04 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.1 Cg_endo -75.02 130.14 20.51 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.001 -2.5 . . . . 0.0 110.975 0.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.57 HG12 ' CD2' ' A' ' 71' ' ' HIS . 72.2 t -97.0 134.04 36.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.595 ' CZ ' HG21 ' A' ' 82' ' ' VAL . 92.6 m-85 -116.5 120.2 38.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.589 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 37.4 m170 -114.88 116.95 29.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.591 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HB2' ' CB ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -103.08 119.54 39.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 62.35 52.95 2.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 49.21 41.5 30.98 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -154.94 120.35 5.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 110.299 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.589 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 1.1 t80 -41.96 113.5 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.473 HD21 ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -90.5 -43.39 10.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.465 ' HA ' ' CE1' ' A' ' 76' ' ' PHE . 8.9 ptt? -177.28 148.19 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 111.063 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.542 ' SD ' ' NE2' ' A' ' 80' ' ' HIS . 3.7 ptt? -144.99 161.47 39.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.542 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 4.5 m170 88.52 9.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.572 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 3.5 mtt85 161.11 -167.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.595 HG21 ' CZ ' ' A' ' 70' ' ' PHE . 22.0 t -131.69 80.63 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 84' ' ' THR . 3.3 m-20 -80.03 77.9 6.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 83' ' ' ASN . 81.2 p -36.16 -52.18 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.412 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.2 OUTLIER -37.86 -44.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.016 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -62.51 1.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.569 HD22 ' CD2' ' A' ' 40' ' ' TYR . 12.8 tp -41.51 -67.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -41.41 -52.39 3.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -50.15 -54.07 23.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 93' ' ' LYS . 25.9 mm-40 -58.75 -49.24 78.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.346 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.4 mt -40.93 -44.68 2.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.7 ptt85 -79.49 -35.4 40.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.486 ' O ' ' CG ' ' A' ' 93' ' ' LYS . 3.6 tttt -101.94 75.43 1.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.422 HD13 ' CD1' ' A' ' 72' ' ' LEU . 8.6 mt -144.99 -59.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.8 t 57.29 165.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.974 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -42.23 135.23 3.75 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -66.68 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.447 1.762 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.2 t -112.3 106.33 14.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.0 p -165.63 139.2 4.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.537 1.148 . . . . 0.0 110.992 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.6 p -88.8 149.43 23.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 110.01 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.14 -58.13 2.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 110.016 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.71 168.37 34.06 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -151.26 170.17 20.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 0.737 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 p -172.23 136.87 0.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.13 -134.96 6.18 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.53 102.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 109.329 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.22 105.61 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.9 p -133.05 170.8 14.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 109.997 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 61.57 149.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.62 137.34 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 110.058 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -119.5 164.52 15.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.4 121.46 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -169.41 120.36 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.9 mt -104.99 157.01 35.16 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.92 42.97 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.4 t -100.37 116.0 42.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.609 HD22 ' CE1' ' A' ' 44' ' ' PHE . 8.5 tp -102.84 110.1 21.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.429 ' HB ' ' HB2' ' A' ' 71' ' ' HIS . 45.8 m -80.8 109.1 15.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.3 tp -100.3 122.71 43.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.437 ' CZ ' ' CZ3' ' A' ' 59' ' ' TRP . 70.4 m-85 -105.32 99.31 8.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -107.46 171.4 7.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.467 ' HG2' ' CD1' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -165.37 -176.61 4.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.525 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -150.13 140.76 14.27 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.02 147.07 88.35 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.037 -2.484 . . . . 0.0 110.973 -0.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.427 ' O ' ' SG ' ' A' ' 30' ' ' CYS . 11.3 t -165.19 101.16 0.79 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 108.318 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -21.16 16.13 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.468 1.773 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.414 ' CD2' ' N ' ' A' ' 29' ' ' LEU . 1.1 mm? -70.06 -57.35 5.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.478 ' SG ' ' N ' ' A' ' 31' ' ' ASP . 11.6 p -40.52 -42.19 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.286 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.478 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -57.09 -65.3 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.6 -50.41 65.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 110.266 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.477 ' HB2' ' CG2' ' A' ' 82' ' ' VAL . . . -41.84 -62.59 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 37' ' ' LEU . 2.0 mttm -46.63 -53.06 12.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -53.47 -26.53 20.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 33' ' ' ALA . 6.3 t -82.0 -19.82 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' LYS . 15.4 mt -100.92 -1.43 34.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.492 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -49.69 -52.16 53.43 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.285 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.0 1.11 8.1 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.51 1.795 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.417 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 97.8 m-85 -119.85 12.34 12.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -68.4 -53.44 23.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.53 -13.83 60.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -64.73 -42.7 95.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.609 ' CE1' HD22 ' A' ' 19' ' ' LEU . 1.1 p90 -149.46 -172.89 4.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 10.4 mt -98.84 98.78 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 41.6 tp -75.28 107.17 7.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -93.68 97.82 10.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.441 ' OE2' ' NZ ' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -77.89 106.74 9.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.43 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 72.4 t -95.35 129.16 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.41 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 8.5 m-20 -87.87 103.06 15.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.484 HD11 ' CD1' ' A' ' 67' ' ' ILE . 14.2 pt -82.71 -14.3 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.45 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 4.8 p -73.95 -4.38 34.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.403 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.4 mt -82.76 159.34 63.69 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -35.27 3.25 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -77.29 -12.41 59.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 90.4 m-20 -115.49 6.11 14.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.18 -29.65 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.026 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -65.45 -45.66 82.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.43 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.558 ' CE3' ' HD3' ' A' ' 62' ' ' ARG . 44.5 m95 -57.92 -29.53 65.2 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.587 ' CD1' ' HB3' ' A' ' 64' ' ' LYS . 31.9 t80 -82.22 -56.75 3.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -50.92 -21.36 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.341 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.584 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 11.0 ptm180 -98.23 -30.91 12.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.584 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 21.7 m-85 -138.71 74.71 1.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.624 ' CE ' ' CE2' ' A' ' 65' ' ' PHE . 3.7 pttt -109.99 -35.22 6.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.624 ' CE2' ' CE ' ' A' ' 64' ' ' LYS . 11.5 m-85 -106.63 12.37 29.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -111.62 -46.14 3.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.499 ' HA ' ' C ' ' A' ' 68' ' ' PRO . 1.5 pt -36.16 155.27 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -75.02 131.32 23.84 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.048 -2.48 . . . . 0.0 111.003 0.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.556 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 91.6 t -99.45 139.63 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.581 ' CZ ' HG23 ' A' ' 82' ' ' VAL . 89.6 m-85 -122.6 121.39 36.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.582 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 44.7 m170 -115.24 117.84 31.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.451 ' HB2' ' CB ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -105.32 123.33 47.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 62.13 44.73 7.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.28 41.4 79.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -154.48 119.65 5.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.769 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.582 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -39.68 107.96 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 111.028 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.48 HD21 ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -85.53 -44.57 12.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.418 ' HA ' ' CE1' ' A' ' 76' ' ' PHE . 9.8 ptt? -175.52 148.39 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.571 ' HG3' ' CE1' ' A' ' 80' ' ' HIS . 5.2 ptp -145.11 162.69 36.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.571 ' CE1' ' HG3' ' A' ' 79' ' ' MET . 6.7 m170 87.82 8.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.617 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.464 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 160.7 -174.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.581 HG23 ' CZ ' ' A' ' 70' ' ' PHE . 7.9 t -124.01 81.81 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 84' ' ' THR . 1.7 m120 -81.2 77.71 8.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 83' ' ' ASN . 24.9 p -36.29 -48.95 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.412 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m -41.39 -49.99 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -64.4 -56.11 16.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.447 HD11 ' CD1' ' A' ' 91' ' ' LEU . 6.8 tp -47.24 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -41.59 -53.25 3.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.97 -54.42 6.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' LEU . 48.7 mm-40 -58.74 -55.21 38.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.447 ' CD1' HD11 ' A' ' 87' ' ' LEU . 19.4 mt -39.88 -55.97 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.0 mtp85 -42.76 -59.0 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.341 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.53 129.31 34.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.7 mt -143.84 -64.82 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.4 t -86.66 -56.26 3.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.49 176.87 51.63 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 85.55 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 42.59 84.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.8 t -53.21 143.47 18.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.549 1.156 . . . . 0.0 111.043 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 t -122.35 96.82 5.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 0.803 . . . . 0.0 110.024 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.53 93.79 5.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.01 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.01 146.49 4.34 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.55 96.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.937 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.08 158.02 2.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 109.96 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.75 133.89 1.58 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -117.18 108.9 16.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.747 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.69 107.81 0.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.91 168.26 26.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.969 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -148.63 142.82 26.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.3 p -83.41 77.06 9.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -169.22 105.16 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -170.06 105.5 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -140.85 123.44 16.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.8 mt -92.29 156.85 41.41 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 166.64 28.78 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.543 1.812 . . . . 0.0 111.05 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.0 t -109.35 116.94 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.088 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.586 HD21 ' CE1' ' A' ' 44' ' ' PHE . 7.0 tp -102.67 112.17 24.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.112 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.485 HG22 ' CZ ' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -78.49 114.46 17.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.422 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.3 tp -109.3 122.73 47.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.819 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 89.2 m-85 -114.67 107.35 15.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.447 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 1.5 t -121.67 152.66 39.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 110.399 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.497 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 0.0 OUTLIER -137.15 120.58 17.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.503 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -88.16 137.91 30.94 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.05 164.61 88.0 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.026 -2.489 . . . . 0.0 110.967 0.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.497 ' HB3' ' O ' ' A' ' 24' ' ' LYS . 1.7 p -169.65 109.85 0.47 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 108.257 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -28.69 8.95 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.774 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 32' ' ' GLU . 18.8 mt -85.57 -66.61 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.447 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 35.8 m -43.78 -30.96 0.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 108.298 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -68.96 -49.17 60.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -68.77 -45.8 70.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.481 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . . . -38.53 -58.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.66 -49.16 19.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 32' ' ' GLU . 10.0 mt-10 -56.37 -27.14 55.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 33' ' ' ALA . 14.8 t -80.79 -17.43 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.412 HD13 ' CE1' ' A' ' 70' ' ' PHE . 16.5 mt -102.52 10.41 38.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.509 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -61.43 -51.19 79.21 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.01 -1.57 11.4 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.454 1.765 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.468 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 98.0 m-85 -116.43 2.78 13.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -58.77 -31.58 68.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -94.38 -16.25 23.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -70.21 -10.03 57.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.586 ' CE1' HD21 ' A' ' 19' ' ' LEU . 2.3 p90 176.77 175.23 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 57.7 mt -91.02 98.99 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.6 tp -71.4 111.21 6.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.348 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.421 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.61 102.95 15.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -84.4 100.29 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.553 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 96.4 t -93.9 147.71 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.2 102.87 12.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.559 HD11 ' CD2' ' A' ' 60' ' ' TYR . 13.7 pt -80.04 -11.08 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.447 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 21.6 p -75.42 0.24 17.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.422 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.0 mt -92.0 160.1 36.43 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -37.66 1.91 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.503 1.791 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -72.53 -20.88 61.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.349 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -106.26 7.71 31.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.4 t -49.58 -22.08 1.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -70.03 -49.84 47.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.819 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 78.9 m95 -59.22 -19.65 47.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 108.012 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.559 ' CD2' HD11 ' A' ' 51' ' ' ILE . 38.2 t80 -88.95 -56.18 3.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -52.22 -20.03 2.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.568 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 9.4 ptm180 -96.82 -31.48 12.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.568 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 22.3 m-85 -135.48 66.77 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.09 -9.21 20.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.477 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 2.3 p90 -147.48 17.28 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 111.038 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.477 ' OD1' ' CD1' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -129.4 30.37 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.537 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 0.5 OUTLIER -104.36 163.91 16.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.537 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.97 151.81 97.4 Favored 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.988 0.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.486 HG22 ' CG ' ' A' ' 63' ' ' TYR . 71.8 t -107.88 149.99 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.585 ' CE2' HG23 ' A' ' 82' ' ' VAL . 97.3 m-85 -138.17 117.42 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.586 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 30.4 m170 -110.84 117.45 33.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.612 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.474 ' CD2' HD13 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -103.46 118.61 37.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 68.11 24.91 7.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.29 39.11 32.23 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -150.97 119.11 6.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.586 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.8 OUTLIER -38.23 101.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.444 HD21 ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -80.52 -43.73 20.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.403 ' HA ' ' CE1' ' A' ' 76' ' ' PHE . 7.0 ptt? -175.62 149.65 1.0 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.535 ' HE3' ' CE1' ' A' ' 76' ' ' PHE . 3.2 ptt? -143.35 158.52 43.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.519 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 3.4 m170 87.68 9.64 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.64 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.476 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 7.5 mtt180 160.45 -168.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.585 HG23 ' CE2' ' A' ' 70' ' ' PHE . 16.4 t -129.93 81.05 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 86' ' ' LYS . 2.3 m120 -73.99 78.72 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 83' ' ' ASN . 1.4 p -37.34 -49.04 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.374 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.3 t -42.08 -48.22 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER -67.73 -60.41 2.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.6 tp -40.56 -67.19 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -44.5 -55.92 4.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.06 -49.34 8.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 94' ' ' LEU . 26.0 mm-40 -62.29 -55.77 25.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 92' ' ' ARG . 69.2 mt -47.64 -53.62 14.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 91' ' ' LEU . 11.4 mtt85 -37.97 -46.2 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 0.5 OUTLIER -119.84 -86.48 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.474 HD13 ' CD2' ' A' ' 72' ' ' LEU . 1.5 mt 76.41 -53.11 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.1 m -141.75 -58.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.034 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 168.27 -135.78 3.79 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 66.27 6.04 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.12 -84.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.972 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.11 152.58 21.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 110.985 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.1 p -63.68 140.08 58.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 109.985 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.8 p -150.05 102.33 3.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.92 -82.13 1.54 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.124 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -74.13 166.19 23.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 0.0 109.986 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.18 111.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.991 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.97 -83.63 0.04 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -96.02 125.2 40.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 pp -123.26 -46.29 2.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.4 m 47.71 88.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.991 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -129.54 165.19 22.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.8 p -148.04 98.68 2.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 57.68 171.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -161.11 89.8 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.27 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.33 127.51 22.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.6 mt -99.93 157.17 34.38 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.37 27.2 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.45 1.763 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.3 t -110.38 110.12 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.597 HD22 ' CE1' ' A' ' 44' ' ' PHE . 7.3 tp -95.93 111.6 23.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.425 ' HB ' ' HB2' ' A' ' 71' ' ' HIS . 5.2 m -84.37 106.36 15.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.439 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.8 tp -97.6 119.68 36.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.357 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.565 ' CD1' ' HB ' ' A' ' 49' ' ' VAL . 72.1 m-85 -105.11 100.78 10.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -120.18 175.03 6.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.408 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.467 ' O ' ' SG ' ' A' ' 27' ' ' CYS . 2.2 ptmt -149.4 -173.9 4.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.479 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -141.43 131.34 12.85 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -74.99 165.83 84.9 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.963 -2.516 . . . . 0.0 110.999 -0.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.467 ' SG ' ' O ' ' A' ' 24' ' ' LYS . 28.3 p -153.25 99.42 2.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.332 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -27.27 10.09 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 32' ' ' GLU . 5.8 mt -86.61 -65.51 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.405 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 34.1 m -42.5 -29.57 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 108.303 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.454 ' N ' ' C ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -61.65 -51.62 67.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -71.87 -49.11 40.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 36' ' ' VAL . . . -36.79 -57.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -46.47 -50.83 16.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 32' ' ' GLU . 8.8 mt-10 -54.83 -26.07 32.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 33' ' ' ALA . 13.7 t -81.46 -16.2 12.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.403 HD13 ' CE2' ' A' ' 70' ' ' PHE . 13.9 mt -103.83 -0.74 28.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.47 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -50.34 -53.16 47.77 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.2 Cg_endo -75.01 1.25 7.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -119.86 12.96 12.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 44' ' ' PHE . 9.0 mtmp? -69.56 -51.95 30.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -15.51 60.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.41 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 4.0 mmp_? -63.89 -46.86 82.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.597 ' CE1' HD22 ' A' ' 19' ' ' LEU . 1.3 p90 -145.01 -176.77 5.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.7 mt -95.51 99.83 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.456 ' CD1' HD23 ' A' ' 19' ' ' LEU . 32.2 tp -76.57 105.34 7.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.591 1.182 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -93.6 98.49 11.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.31 105.16 10.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.565 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 77.1 t -93.48 133.31 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -91.55 103.3 15.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.426 HD13 ' CD1' ' A' ' 67' ' ' ILE . 11.2 pt -82.91 -9.78 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.6 p -77.34 -2.3 34.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.373 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.5 mt -86.4 161.43 48.69 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -38.2 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.541 1.811 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.21 -26.72 62.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -102.06 6.89 41.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 t -50.98 -22.0 2.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.9 m -68.23 -51.75 41.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.382 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.491 ' CE3' ' HD3' ' A' ' 62' ' ' ARG . 68.8 m95 -54.78 -28.83 51.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 108.025 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.585 ' CD1' ' HB3' ' A' ' 64' ' ' LYS . 31.1 t80 -80.37 -53.13 6.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.97 -18.45 3.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.261 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.562 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 9.1 ptm180 -102.6 -30.44 10.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.562 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 24.8 m-85 -140.33 76.73 1.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.585 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 23.1 pttt -116.85 -5.16 11.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -135.94 9.75 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 67' ' ' ILE . 1.5 m-20 -113.08 -40.67 3.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.501 ' HA ' ' C ' ' A' ' 68' ' ' PRO . 0.9 OUTLIER -36.01 155.45 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.97 130.95 22.61 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.025 -0.101 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.588 HG12 ' CD2' ' A' ' 71' ' ' HIS . 62.8 t -102.9 121.22 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.587 ' CZ ' HG23 ' A' ' 82' ' ' VAL . 94.5 m-85 -101.76 123.34 45.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.588 ' CD2' HG12 ' A' ' 69' ' ' VAL . 33.2 m170 -115.93 117.44 30.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 109.625 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.42 ' HG ' ' CD1' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -106.13 119.49 39.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 62.29 51.98 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 48.83 37.58 21.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.95 115.56 5.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 0.777 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.584 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -38.93 111.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.401 ' CB ' ' HB2' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -88.46 -45.46 9.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.2 ptt? -177.4 150.21 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.591 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 3.8 ptt? -146.38 161.89 39.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.591 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 5.1 m170 87.53 9.91 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.595 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.482 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 15.1 mtt180 159.93 -173.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.587 HG23 ' CZ ' ' A' ' 70' ' ' PHE . 21.0 t -123.26 81.44 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -74.83 75.57 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' ASN . 1.3 p -37.41 -53.07 1.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.143 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.8 t -41.69 -45.45 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.968 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER -69.7 -56.02 8.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 tp -47.53 -65.53 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -43.07 -49.87 6.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.428 ' HG2' ' NH1' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -53.32 -54.64 33.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 91' ' ' LEU . 31.5 mm-40 -54.74 -51.32 66.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 90' ' ' GLN . 35.0 mt -38.82 -39.9 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.428 ' NH1' ' HG2' ' A' ' 89' ' ' LYS . 1.9 ptt-85 -92.77 -36.35 12.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -44.6 85.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 60.6 mt -54.36 -51.5 64.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 41.8 t -150.74 135.65 17.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -122.25 -159.1 10.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.564 1.165 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -43.48 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.781 . . . . 0.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.6 m 60.1 153.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.972 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.6 m -61.65 129.45 41.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 p -151.18 151.2 31.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 110.003 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.3 p -162.18 -61.49 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.98 -152.25 23.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.52 169.1 4.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.974 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.7 171.58 15.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.981 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.57 -179.85 16.05 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -177.42 127.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.74 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.71 107.02 11.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.7 p -84.02 168.85 15.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.08 166.07 23.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.3 86.7 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 178.57 134.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -153.18 141.99 21.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -170.63 130.24 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 34.1 mt -101.66 157.31 33.92 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.61 16.03 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.454 1.765 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.2 t -115.46 115.07 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.248 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.594 HD22 ' CE1' ' A' ' 44' ' ' PHE . 6.5 tp -98.7 111.0 23.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.429 ' HB ' ' HB2' ' A' ' 71' ' ' HIS . 1.8 m -78.65 106.19 10.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.377 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.469 ' CD2' ' HG2' ' A' ' 34' ' ' LYS . 5.5 tp -100.57 122.33 43.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.646 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 61.3 m-85 -107.81 103.26 12.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -117.64 171.31 8.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.406 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.555 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 3.0 pttt -164.61 121.34 1.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.51 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -87.63 137.55 32.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.95 164.87 87.38 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.998 -2.501 . . . . 0.0 111.018 -0.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.555 ' HB3' ' O ' ' A' ' 24' ' ' LYS . 2.9 p -172.53 110.63 0.36 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 108.334 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.52 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.457 1.767 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' CYS . 7.9 mp -73.22 -67.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' LEU . 44.7 m -40.39 -46.11 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 108.321 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -54.23 -58.1 8.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -61.07 -45.86 93.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' VAL . . . -39.11 -61.29 0.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HG2' ' CD2' ' A' ' 21' ' ' LEU . 13.4 mttt -45.93 -51.71 12.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -54.22 -28.92 44.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' ALA . 17.4 t -78.84 -21.42 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' LYS . 12.4 mt -96.92 18.29 14.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.515 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -66.4 -50.85 46.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.01 0.85 8.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.545 1.813 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.572 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 74.6 m-85 -124.78 -0.2 8.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' LEU . 15.2 pttp -61.22 -22.24 64.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -103.7 -15.33 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.63 -13.37 62.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.594 ' CE1' HD22 ' A' ' 19' ' ' LEU . 6.4 p90 -173.78 179.18 2.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.6 mt -95.58 98.88 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.419 ' CD2' HD21 ' A' ' 21' ' ' LEU . 52.1 tp -73.3 108.84 6.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -93.55 98.81 11.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.461 ' HG3' ' CD2' ' A' ' 21' ' ' LEU . 2.2 mt-10 -80.07 101.86 8.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.4 t -88.23 138.87 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -99.48 102.95 14.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.506 HD11 ' CD2' ' A' ' 60' ' ' TYR . 24.4 pt -77.86 -26.99 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.485 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 4.8 p -56.59 -16.98 7.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.4 mt -70.64 157.57 89.85 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -37.42 2.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.87 -35.33 76.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.252 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 59' ' ' TRP . 87.4 m-20 -91.15 7.5 40.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.2 t -44.38 -27.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -70.83 -42.47 70.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.434 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.646 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 48.0 m95 -61.3 -16.14 42.65 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.506 ' CD2' HD11 ' A' ' 51' ' ' ILE . 28.6 t80 -96.35 -54.44 3.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -51.19 -20.43 1.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.562 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 11.1 ptm180 -99.21 -34.35 10.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.239 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.562 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 22.5 m-85 -131.13 71.29 1.47 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.506 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -109.33 -6.12 15.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.427 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 0.9 OUTLIER -143.15 14.13 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.96 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -111.6 -46.23 3.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.498 ' HA ' ' C ' ' A' ' 68' ' ' PRO . 5.3 pt -35.79 156.73 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.2 Cg_endo -75.03 135.31 39.91 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.021 -0.041 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.563 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 97.0 t -105.64 139.66 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.579 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 95.5 m-85 -122.65 123.53 41.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.563 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 45.8 m170 -115.52 122.23 45.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.622 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' A' ' 73' ' ' ASN . 0.4 OUTLIER -106.51 113.43 26.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.43 ' ND2' ' HG ' ' A' ' 94' ' ' LEU . 9.0 m-80 64.11 56.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 48.82 41.78 28.27 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -153.25 123.36 6.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.784 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.555 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -48.22 111.04 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.409 ' CB ' ' HB2' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -88.59 -44.56 10.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.266 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.404 ' O ' ' HB2' ' A' ' 70' ' ' PHE . 9.2 ptt? -177.43 151.81 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.621 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 4.1 ptt? -149.4 163.46 37.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.621 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 6.0 m170 87.22 10.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.574 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.466 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 160.94 -170.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.579 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 48.2 t -129.96 83.51 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 84' ' ' THR . 7.2 m120 -83.76 76.76 9.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 83' ' ' ASN . 2.4 p -35.47 -46.98 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.415 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.6 -46.07 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -69.83 -62.42 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.472 HD11 ' CD1' ' A' ' 91' ' ' LEU . 4.2 tp -39.83 -68.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -41.48 -52.15 3.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.36 -63.22 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 91' ' ' LEU . 24.1 mm-40 -51.71 -53.78 35.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.472 ' CD1' HD11 ' A' ' 87' ' ' LEU . 21.6 mt -37.45 -61.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -39.17 -63.57 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -103.66 104.97 15.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.097 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.43 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 10.2 tp -175.94 -65.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.85 151.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.02 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 139.86 -166.71 25.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 98.66 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.5 1.79 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.7 m -41.67 119.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.956 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.5 t -105.31 87.06 2.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.984 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.418 HD13 ' O ' ' A' ' 42' ' ' ASP . 18.3 mt -96.65 157.65 34.94 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.403 ' HB2' ' CD2' ' A' ' 72' ' ' LEU . 18.2 Cg_endo -74.96 157.85 42.69 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.1 t -100.32 110.92 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.692 HD11 HD23 ' A' ' 77' ' ' LEU . 7.4 tp -93.24 111.5 23.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -79.86 102.0 8.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.397 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.566 HD12 ' N ' ' A' ' 22' ' ' PHE . 2.6 tp -95.14 121.41 36.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.62 ' HE1' HG11 ' A' ' 49' ' ' VAL . 57.9 m-85 -109.61 98.67 7.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.447 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -101.74 165.32 11.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.421 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.852 ' HG2' HD12 ' A' ' 67' ' ' ILE . 1.7 ptmt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.431 ' C ' ' N ' ' A' ' 31' ' ' ASP . 18.8 mt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.447 ' HB2' ' CB ' ' A' ' 23' ' ' THR . 14.7 p -48.61 -24.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.269 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.431 ' N ' ' C ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -70.84 -56.4 6.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.624 ' O ' HG23 ' A' ' 36' ' ' VAL . 3.9 tt0 -61.87 -49.39 76.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.718 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -37.99 -61.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.456 ' CG ' HD21 ' A' ' 21' ' ' LEU . 4.6 mtpm? -45.43 -52.31 10.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -53.18 -29.1 29.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 32' ' ' GLU . 13.2 t -78.57 -19.28 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.562 HD11 ' CE2' ' A' ' 70' ' ' PHE . 16.2 mt -101.57 19.79 17.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.509 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 1.2 mt-30 -69.09 -51.14 18.8 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.568 ' HG2' ' CE1' ' A' ' 40' ' ' TYR . 18.3 Cg_endo -75.03 0.79 8.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.568 ' CE1' ' HG2' ' A' ' 39' ' ' PRO . 55.9 m-85 -123.19 10.42 9.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -62.95 -33.1 74.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.418 ' O ' HD13 ' A' ' 16' ' ' LEU . 1.1 p-10 -97.26 -13.88 21.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.43 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 4.9 mmp_? -68.76 -9.01 48.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.737 ' HD2' HD21 ' A' ' 91' ' ' LEU . 2.5 p90 178.69 177.97 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 12.8 mt -92.48 100.43 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.605 HD13 HD23 ' A' ' 19' ' ' LEU . 42.4 tp -73.68 105.66 5.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' LEU . 13.8 tt0 -93.77 98.43 11.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.522 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -79.5 108.41 13.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.62 HG11 ' HE1' ' A' ' 22' ' ' PHE . 94.0 t -100.73 127.6 53.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -86.65 103.15 14.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.757 ' CD1' HD13 ' A' ' 67' ' ' ILE . 22.5 pt -81.67 -19.3 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.1 p -66.93 -10.29 47.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 mt -80.72 160.11 67.52 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -45.48 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.769 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -62.42 -21.14 65.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -108.1 4.67 25.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.2 t -45.1 -33.12 2.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 m -58.62 -54.62 45.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.455 ' HB3' HG22 ' A' ' 51' ' ' ILE . 63.5 m95 -49.74 -43.93 48.18 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.586 ' CD2' HD12 ' A' ' 51' ' ' ILE . 42.7 t80 -67.64 -55.81 11.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.953 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -45.86 -35.42 4.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.51 ' NE ' ' CE2' ' A' ' 63' ' ' TYR . 8.6 ptm180 -88.55 -29.25 20.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.51 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 21.4 m-85 -134.82 68.13 1.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.58 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -103.61 -17.09 15.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.469 ' CD2' ' HG3' ' A' ' 64' ' ' LYS . 1.3 p90 -132.25 5.77 4.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.492 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -117.33 29.48 7.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.852 HD12 ' HG2' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -109.11 162.59 19.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.534 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.98 147.63 89.75 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.97 -2.513 . . . . 0.0 111.007 -0.033 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.527 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 45.8 t -104.06 152.11 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.935 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 96.7 m-85 -137.28 118.7 14.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.551 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 36.3 m170 -112.21 118.4 35.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.623 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -103.75 112.3 25.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.51 28.97 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.47 38.82 57.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -149.9 117.52 6.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.551 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -38.17 102.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.692 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -82.48 -43.52 17.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.523 ' HE2' HD21 ' A' ' 77' ' ' LEU . 8.9 ptt? -175.62 149.05 0.94 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.527 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 3.1 ptt? -144.45 157.88 44.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.527 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 3.3 m170 87.53 9.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.596 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.424 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.5 OUTLIER 164.34 -166.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.935 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 21.6 t -135.54 80.23 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' THR . 1.7 m120 -76.22 77.29 3.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 83' ' ' ASN . 18.2 p -35.76 -53.72 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.41 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' THR . 3.9 t -39.14 -49.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -64.09 -51.31 64.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.464 HD21 ' HE2' ' A' ' 44' ' ' PHE . 7.7 tp -51.12 -63.82 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -41.66 -53.53 3.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.39 -61.25 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 91' ' ' LEU . 15.5 mm100 -53.5 -53.21 54.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.737 HD21 ' HD2' ' A' ' 44' ' ' PHE . 23.1 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.2 mt -100.59 157.13 34.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 164.46 33.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -108.21 107.94 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.669 HD11 HD23 ' A' ' 77' ' ' LEU . 5.8 tp -90.87 109.56 20.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.4 m -78.69 99.9 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.398 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.604 ' HB2' HD11 ' A' ' 46' ' ' LEU . 2.2 tp -91.29 121.68 33.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.692 ' CZ ' ' CZ3' ' A' ' 59' ' ' TRP . 72.6 m-85 -108.2 100.18 9.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.48 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -108.35 161.9 14.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.907 ' HG2' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 29' ' ' LEU . 6.2 mp . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.48 ' HB2' ' CB ' ' A' ' 23' ' ' THR . 12.1 p -41.7 -38.77 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 108.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.417 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 1.5 t70 -65.91 -56.45 11.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -58.7 -52.79 64.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.651 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -38.74 -58.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -45.64 -51.26 12.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -53.47 -28.55 31.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 32' ' ' GLU . 15.7 t -79.14 -19.16 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.522 HD11 ' CE2' ' A' ' 70' ' ' PHE . 16.6 mt -102.24 19.12 19.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.511 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 1.3 mt-30 -69.46 -50.65 18.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.5 Cg_endo -74.98 0.89 8.35 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.781 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.569 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 59.7 m-85 -127.55 21.29 6.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.81 -18.95 45.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -106.78 -15.11 14.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.98 -32.33 70.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.787 ' HD2' HD21 ' A' ' 91' ' ' LEU . 4.5 p90 -151.88 178.63 9.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.7 mt -94.91 99.91 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.34 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.644 ' CD1' HD23 ' A' ' 19' ' ' LEU . 42.3 tp -71.68 104.85 3.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 21' ' ' LEU . 14.9 tt0 -93.96 98.78 11.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.426 ' HG3' HD23 ' A' ' 21' ' ' LEU . 1.7 mt-10 -77.68 105.73 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.572 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 81.4 t -96.82 122.99 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.01 103.17 12.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.704 ' CD1' HD13 ' A' ' 67' ' ' ILE . 16.1 pt -81.81 -11.55 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.571 HG22 ' HB2' ' A' ' 24' ' ' LYS . 69.0 p -76.7 -0.26 22.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.9 mt -88.08 160.99 45.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -40.21 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.52 1.8 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.99 -22.36 63.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -105.87 6.04 31.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.4 t -46.82 -25.29 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.012 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 m -66.64 -59.12 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.692 ' CZ3' ' CZ ' ' A' ' 22' ' ' PHE . 69.3 m95 -46.13 -34.14 4.03 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.658 ' CD2' HD12 ' A' ' 51' ' ' ILE . 35.8 t80 -76.89 -55.65 5.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.12 -28.56 4.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.543 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 12.6 ptp180 -91.11 -30.29 16.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.543 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 28.4 m-85 -137.76 70.07 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -102.39 -20.02 14.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -128.76 7.11 5.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.487 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -120.33 30.37 7.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.907 HD12 ' HG2' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -108.25 163.04 17.83 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.542 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.2 Cg_endo -75.03 148.44 91.7 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.985 0.061 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.622 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 48.6 t -106.3 149.33 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.966 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 93.8 m-85 -132.42 116.84 17.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.622 ' CE1' ' CG1' ' A' ' 69' ' ' VAL . 1.3 m-70 -110.76 117.09 32.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.602 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.449 ' HG ' ' CD1' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -102.28 117.43 34.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 62.65 50.93 3.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 52.77 41.44 57.94 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -154.37 118.54 4.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 0.762 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.75 117.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 111.05 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.669 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -95.41 -44.64 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.661 ' HE2' HD21 ' A' ' 77' ' ' LEU . 7.9 ptt? -174.87 149.07 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.505 ' C ' ' CG ' ' A' ' 80' ' ' HIS . 2.3 ptt? -142.51 156.41 45.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.505 ' CG ' ' C ' ' A' ' 79' ' ' MET . 1.6 m170 87.5 9.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.608 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 1.3 mtt85 161.82 -167.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.265 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.966 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 57.7 t -132.67 80.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -70.26 81.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.4 p -37.37 -53.03 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.375 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.91 -51.62 3.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.007 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -60.54 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.543 HD11 HD11 ' A' ' 91' ' ' LEU . 3.2 tp -40.01 -68.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.637 ' HA ' HD12 ' A' ' 91' ' ' LEU . 4.9 mt-10 -43.97 -49.79 8.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.57 -61.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 91' ' ' LEU . 15.5 mm100 -53.74 -53.35 53.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.787 HD21 ' HD2' ' A' ' 44' ' ' PHE . 32.1 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.2 mt -87.05 151.62 52.02 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 159.08 41.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.53 1.805 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.4 t -105.78 115.7 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.757 HD11 HD23 ' A' ' 77' ' ' LEU . 6.2 tp -100.87 115.11 29.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 m -77.41 123.43 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.658 ' HB2' HD11 ' A' ' 46' ' ' LEU . 1.5 tp -117.45 121.2 40.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.655 ' N ' HD12 ' A' ' 21' ' ' LEU . 69.3 m-85 -110.61 98.53 7.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.492 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -104.52 170.11 8.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.416 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.874 ' HG2' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.9 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.492 ' HB2' ' CB ' ' A' ' 23' ' ' THR . 14.4 p -48.17 -26.51 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.294 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.16 -58.14 3.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.726 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -54.5 -53.02 59.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.672 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -39.79 -62.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -45.25 -52.34 9.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -53.45 -28.98 33.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 32' ' ' GLU . 8.1 t -78.37 -18.28 13.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.54 HD11 ' CE2' ' A' ' 70' ' ' PHE . 14.1 mt -101.15 19.4 17.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.505 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 1.1 mt-30 -69.07 -51.27 18.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.4 Cg_endo -75.0 1.17 8.03 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.48 ' CE2' ' HG2' ' A' ' 39' ' ' PRO . 70.8 m-85 -122.81 4.42 9.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -61.51 -35.78 78.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.91 -17.57 26.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.438 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 3.5 mmp_? -64.54 -27.81 69.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.671 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.8 p90 -163.88 178.34 7.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.9 mt -93.78 98.68 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.658 HD11 ' HB2' ' A' ' 21' ' ' LEU . 60.3 tp -71.8 112.54 7.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.455 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.95 103.5 15.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.32 101.12 11.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 67.9 t -97.14 133.02 40.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.406 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 15.0 m-20 -92.93 103.1 15.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.725 ' CD1' HD13 ' A' ' 67' ' ' ILE . 13.2 pt -81.78 -15.79 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.796 HG22 ' HB2' ' A' ' 24' ' ' LYS . 20.1 p -70.8 -9.77 58.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 53' ' ' LEU . 37.3 mt -80.27 160.41 68.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -37.83 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.542 1.812 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -63.98 -38.7 92.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 76.2 m-20 -94.7 7.14 46.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.3 t -43.44 -28.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.3 m -65.19 -59.65 3.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.585 ' CE3' ' HD3' ' A' ' 62' ' ' ARG . 51.6 m95 -43.6 -40.61 4.14 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.713 ' CD2' HD12 ' A' ' 51' ' ' ILE . 33.0 t80 -69.78 -57.41 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -43.17 -37.41 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.262 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.635 ' NE ' ' CE2' ' A' ' 63' ' ' TYR . 17.6 ptm180 -85.73 -35.87 20.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.244 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.635 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 19.9 m-85 -127.45 69.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.584 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -104.68 -15.98 15.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -135.01 16.2 3.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.52 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -128.82 31.51 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.874 HD12 ' HG2' ' A' ' 24' ' ' LYS . 0.6 OUTLIER -110.47 162.73 19.34 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.538 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.4 Cg_endo -74.97 150.14 94.98 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.022 -0.001 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.559 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 71.5 t -107.37 151.9 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.849 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 96.5 m-85 -136.53 119.26 16.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.559 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 38.0 m170 -113.02 117.74 32.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.605 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.573 ' HG ' HD13 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -99.55 113.14 25.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 65.43 49.63 1.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.248 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 56.07 41.48 85.45 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -153.18 122.26 6.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.784 . . . . 0.0 110.265 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.554 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.4 OUTLIER -45.81 113.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.757 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -93.4 -42.61 9.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.544 ' HE2' HD21 ' A' ' 77' ' ' LEU . 7.8 ptt? -176.86 149.74 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.95 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.512 ' SD ' ' NE2' ' A' ' 80' ' ' HIS . 2.2 ptt? -143.83 157.44 44.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 111.031 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.512 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 1.9 m170 87.82 9.15 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.637 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 162.17 -166.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.849 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 66.5 t -132.36 80.18 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 86' ' ' LYS . 77.2 m-20 -71.8 76.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.1 p -37.2 -48.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.411 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -40.94 -45.61 2.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.991 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -69.55 -62.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.43 HD11 ' HE2' ' A' ' 44' ' ' PHE . 16.4 tp -40.6 -67.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -42.09 -51.33 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.259 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -51.67 -45.37 63.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 91' ' ' LEU . 62.2 mm-40 -64.75 -58.8 5.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.671 HD21 ' HD2' ' A' ' 44' ' ' PHE . 16.0 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.454 HD13 ' O ' ' A' ' 42' ' ' ASP . 21.1 mt -118.03 157.09 49.49 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.439 ' HB2' ' CD2' ' A' ' 72' ' ' LEU . 18.4 Cg_endo -75.0 157.78 42.57 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.47 1.773 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.2 t -101.31 102.04 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.827 HD23 HD13 ' A' ' 46' ' ' LEU . 6.7 tp -85.02 110.08 18.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.2 m -81.28 104.93 12.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.438 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.739 HD23 ' HG3' ' A' ' 48' ' ' GLU . 6.9 tp -95.78 124.96 40.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.787 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 61.3 m-85 -108.88 98.87 8.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.42 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -108.84 164.87 12.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.42 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.742 ' HG2' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.42 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 94.6 m -78.52 -59.34 2.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 108.289 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.75 -53.59 14.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -56.33 -52.71 63.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 110.298 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.703 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -38.47 -57.46 1.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.564 ' CG ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -45.99 -50.88 14.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 32' ' ' GLU . 7.8 mt-10 -53.93 -27.28 29.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' ALA . 14.3 t -80.6 -19.21 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.536 HD11 ' CE2' ' A' ' 70' ' ' PHE . 17.0 mt -101.71 14.26 32.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.513 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 1.2 mt-30 -63.66 -51.13 68.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.248 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.0 Cg_endo -75.04 0.71 8.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.769 . . . . 0.0 111.004 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.468 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 81.9 m-85 -121.5 7.9 10.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -34.09 74.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.454 ' O ' HD13 ' A' ' 16' ' ' LEU . 2.1 t0 -93.67 -16.25 24.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.416 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 10.6 mmp_? -67.89 -11.37 58.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.793 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.9 p90 178.35 175.15 0.57 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.137 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.6 mt -90.58 100.72 11.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.827 HD13 HD23 ' A' ' 19' ' ' LEU . 42.8 tp -76.19 106.52 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 21' ' ' LEU . 5.5 tt0 -93.83 98.27 10.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.739 ' HG3' HD23 ' A' ' 21' ' ' LEU . 3.8 mt-10 -79.09 106.47 11.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.443 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 76.2 t -99.06 127.39 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.626 ' HB3' HD23 ' A' ' 53' ' ' LEU . 2.8 m-20 -85.97 102.55 13.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.852 HD12 ' CD2' ' A' ' 60' ' ' TYR . 7.4 pt -80.28 0.42 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.713 ' C ' HD22 ' A' ' 53' ' ' LEU . 1.6 p -87.92 20.09 3.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.379 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.713 HD22 ' C ' ' A' ' 52' ' ' THR . 2.2 mm? -117.34 160.05 39.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -27.93 9.6 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.465 1.771 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 6.8 pt-20 -68.95 -38.99 79.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 23.5 m-20 -99.62 6.49 45.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.343 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' ASN . 2.5 t -38.84 -32.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 56' ' ' ASN . 2.2 m -62.78 -57.4 11.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.433 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.787 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 76.8 m95 -46.08 -37.47 6.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 108.044 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.852 ' CD2' HD12 ' A' ' 51' ' ' ILE . 30.8 t80 -74.92 -53.74 8.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.441 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 2.2 mt-10 -50.91 -22.35 2.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.628 ' NE ' ' CE2' ' A' ' 63' ' ' TYR . 9.1 ptm180 -99.54 -28.98 12.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.628 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 21.9 m-85 -136.28 68.84 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -103.14 -14.78 16.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.437 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 3.9 p90 -138.09 10.71 2.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.467 ' HB3' ' NE2' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -122.97 31.02 6.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.742 HD12 ' HG2' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -106.35 164.19 15.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.574 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.2 Cg_endo -74.99 152.24 97.95 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.962 -2.516 . . . . 0.0 111.024 -0.038 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.594 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 71.9 t -107.43 151.69 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 1.01 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 96.4 m-85 -137.81 113.66 9.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.594 ' CE1' ' CG1' ' A' ' 69' ' ' VAL . 0.7 OUTLIER -108.58 117.22 33.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.576 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -100.25 114.88 28.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.35 29.69 4.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.36 34.06 58.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.82 116.35 8.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -37.62 106.87 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.689 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -86.98 -44.17 11.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.538 ' HE2' HD21 ' A' ' 77' ' ' LEU . 7.8 ptt? -174.46 149.42 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.496 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 2.6 ptt? -143.67 159.93 41.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.496 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 3.2 m170 87.79 9.94 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.597 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 1.4 mtt180 159.33 -168.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.353 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 1.01 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 17.9 t -127.37 79.58 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.9 m120 -71.51 76.14 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.7 p -38.11 -52.18 1.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.438 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.35 -43.46 1.76 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -69.55 -61.85 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.506 HD11 ' CE2' ' A' ' 44' ' ' PHE . 12.5 tp -39.91 -66.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -43.04 -56.35 3.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.3 -43.32 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 91' ' ' LEU . 34.6 mm-40 -69.61 -56.02 8.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.793 HD21 ' HD2' ' A' ' 44' ' ' PHE . 17.2 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.7 mt -107.06 157.1 36.17 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 161.14 39.09 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.0 t -103.81 111.26 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.253 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.661 HD11 HD23 ' A' ' 77' ' ' LEU . 7.5 tp -93.3 110.85 22.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -78.98 104.36 9.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.375 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.583 HD12 ' N ' ' A' ' 22' ' ' PHE . 2.1 tp -98.53 120.06 38.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.692 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 65.2 m-85 -109.91 100.82 9.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.479 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -107.75 164.56 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.408 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.909 ' HG2' HD12 ' A' ' 67' ' ' ILE . 2.0 ptmt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 29' ' ' LEU . 1.9 mp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.479 ' HB2' ' CB ' ' A' ' 23' ' ' THR . 9.3 p -41.74 -39.0 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.358 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.426 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 0.7 OUTLIER -66.2 -61.68 1.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.728 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -53.47 -53.35 52.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.75 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -38.66 -63.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' LEU . 5.4 mtpm? -45.5 -53.39 8.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 2.6 mt-10 -52.47 -28.13 19.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 32' ' ' GLU . 16.7 t -79.78 -22.38 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.573 HD11 ' CE2' ' A' ' 70' ' ' PHE . 13.7 mt -96.84 15.82 21.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.503 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 1.4 mt-30 -63.96 -50.85 67.68 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -74.98 0.35 9.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.571 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 71.1 m-85 -125.44 30.12 5.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -88.79 -13.9 38.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.18 -14.54 13.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.605 ' HD2' HD13 ' A' ' 91' ' ' LEU . 0.6 OUTLIER -73.76 -12.69 60.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.709 ' HD2' HD21 ' A' ' 91' ' ' LEU . 4.2 p90 -173.93 176.67 2.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.9 mt -94.82 101.78 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.655 HD13 HD23 ' A' ' 19' ' ' LEU . 40.5 tp -71.4 107.89 4.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -94.94 98.57 10.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.338 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.486 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -81.36 108.85 15.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.553 HG11 ' HE1' ' A' ' 22' ' ' PHE . 76.8 t -103.18 125.05 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.582 ' CB ' HD23 ' A' ' 53' ' ' LEU . 12.2 m-20 -85.18 102.62 13.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.895 HD12 ' CD2' ' A' ' 60' ' ' TYR . 7.7 pt -80.88 -2.2 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.586 ' C ' HD22 ' A' ' 53' ' ' LEU . 41.2 p -81.74 6.92 13.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.598 HD22 ' N ' ' A' ' 53' ' ' LEU . 0.8 OUTLIER -104.79 159.01 30.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.418 ' HA ' ' HB2' ' A' ' 57' ' ' SER . 18.3 Cg_endo -75.03 -28.33 9.21 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.501 1.79 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 6.5 pt-20 -66.08 -38.74 89.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 25.7 m-20 -99.55 7.59 45.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 56' ' ' ASN . 33.3 t -37.52 -33.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 56' ' ' ASN . 4.4 m -63.65 -54.44 35.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.692 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 58.0 m95 -48.07 -32.59 6.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 107.998 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.895 ' CD2' HD12 ' A' ' 51' ' ' ILE . 24.2 t80 -81.84 -52.98 6.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.433 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 2.1 mt-10 -51.44 -20.98 2.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.57 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 11.2 ptm180 -99.42 -31.7 11.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.277 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.57 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 27.2 m-85 -134.32 71.13 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.962 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -105.09 -11.68 16.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -138.65 11.26 2.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.499 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -123.97 29.19 6.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.909 HD12 ' HG2' ' A' ' 24' ' ' LYS . 0.6 OUTLIER -107.62 162.37 20.0 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.529 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.4 Cg_endo -75.0 148.05 90.79 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.956 -2.519 . . . . 0.0 111.019 -0.022 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.673 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 54.9 t -105.63 152.66 7.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.869 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 96.5 m-85 -137.32 118.26 14.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.673 ' CE1' ' CG1' ' A' ' 69' ' ' VAL . 1.9 m-70 -112.34 117.46 32.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.592 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.528 ' HG ' HD13 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -101.22 115.32 30.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 69.32 28.99 4.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.89 35.41 54.35 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.16 120.37 9.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -40.81 106.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.661 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -86.24 -42.67 13.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.559 ' HE2' HD21 ' A' ' 77' ' ' LEU . 9.0 ptt? -176.48 149.21 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.521 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 2.9 ptt? -144.65 157.07 44.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.521 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 3.0 m170 87.52 10.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.6 OUTLIER 162.15 -167.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.869 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 12.8 t -137.01 88.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.6 m120 -83.21 82.3 8.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 83' ' ' ASN . 12.8 p -37.06 -53.72 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 110.374 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.5 t -39.82 -47.81 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -65.0 -61.75 1.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.7 tp -40.23 -65.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -40.76 -57.92 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.21 -56.02 2.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.083 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -58.93 -53.8 54.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.709 HD21 ' HD2' ' A' ' 44' ' ' PHE . 33.1 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.4 mt -108.72 157.51 36.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 179.43 6.09 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.1 t -121.76 113.02 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.894 HD23 HD13 ' A' ' 46' ' ' LEU . 8.4 tp -96.67 111.53 23.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 m -81.19 101.66 9.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.637 HD23 ' HG3' ' A' ' 48' ' ' GLU . 6.2 tp -96.23 122.23 38.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.702 ' HE1' HG11 ' A' ' 49' ' ' VAL . 72.1 m-85 -111.51 103.89 12.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.473 HG21 ' HE3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -114.45 171.76 7.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.379 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.591 ' HG2' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.4 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.43 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 82.1 m -41.63 -67.03 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 108.294 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' CYS . 3.0 m-20 -40.13 -58.37 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -53.19 -56.33 17.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.634 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -36.68 -58.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.526 ' CG ' HD21 ' A' ' 21' ' ' LEU . 6.8 mttt -46.5 -50.6 16.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 32' ' ' GLU . 7.7 mt-10 -53.77 -26.49 23.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 33' ' ' ALA . 14.8 t -81.88 -19.29 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.574 HD11 ' CE2' ' A' ' 70' ' ' PHE . 14.5 mt -100.91 -2.88 30.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -48.0 -51.81 45.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.343 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -74.94 -1.07 10.72 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.462 1.77 . . . . 0.0 111.0 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.575 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 96.2 m-85 -120.89 24.18 10.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 10.4 mtpt -81.92 -40.85 21.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.43 -13.19 52.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.485 ' HD2' HD13 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -70.8 -25.25 62.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.746 ' HD2' HD21 ' A' ' 91' ' ' LEU . 5.6 p90 -164.54 -172.26 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.8 mt -100.63 98.98 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.894 HD13 HD23 ' A' ' 19' ' ' LEU . 44.7 tp -75.22 107.59 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 21' ' ' LEU . 5.3 tt0 -93.62 98.48 11.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.637 ' HG3' HD23 ' A' ' 21' ' ' LEU . 3.9 mt-10 -80.6 101.97 9.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.702 HG11 ' HE1' ' A' ' 22' ' ' PHE . 76.2 t -90.74 138.45 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.406 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 1.0 OUTLIER -97.43 103.14 15.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.776 HD12 ' CD2' ' A' ' 60' ' ' TYR . 13.0 pt -82.52 -14.52 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.452 HG22 ' HB2' ' A' ' 24' ' ' LYS . 69.3 p -71.12 -5.6 32.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.431 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.8 mt -83.55 160.38 59.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -39.88 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -65.91 -39.29 90.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.424 ' C ' ' N ' ' A' ' 58' ' ' THR . 83.7 m-20 -88.34 5.98 39.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.4 t -42.94 -27.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.995 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.424 ' N ' ' C ' ' A' ' 56' ' ' ASN . 1.9 m -65.54 -58.96 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.631 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 59.9 m95 -44.69 -33.5 1.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.776 ' CD2' HD12 ' A' ' 51' ' ' ILE . 29.5 t80 -78.96 -53.02 7.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -53.43 -18.82 2.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.604 ' NE ' ' CE2' ' A' ' 63' ' ' TYR . 9.3 ptm180 -102.34 -30.11 11.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.604 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 28.4 m-85 -138.82 76.24 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 4.5 pttt -114.6 -3.25 12.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -139.48 12.18 2.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 67' ' ' ILE . 2.1 m-20 -114.64 -41.58 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.685 ' CD1' HD11 ' A' ' 51' ' ' ILE . 1.7 pt -36.86 155.41 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.99 130.83 22.32 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.012 -0.042 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.557 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 98.1 t -97.4 138.97 20.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.951 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 88.6 m-85 -122.91 119.64 31.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.579 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 41.4 m170 -114.82 117.23 30.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.608 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.45 ' HG ' ' CD1' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -105.44 121.6 44.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 62.19 50.76 3.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 50.49 41.35 41.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.95 121.71 5.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.295 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.579 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.9 OUTLIER -44.15 108.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.7 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -83.74 -45.75 13.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.439 ' HE2' HD21 ' A' ' 77' ' ' LEU . 8.8 ptt? -174.76 149.78 1.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.579 ' HG3' ' CE1' ' A' ' 80' ' ' HIS . 5.4 ptp -145.96 163.17 36.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 111.067 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.579 ' CE1' ' HG3' ' A' ' 79' ' ' MET . 6.7 m170 87.91 9.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.635 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 158.19 -170.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 110.272 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.951 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 12.4 t -125.87 89.37 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 86' ' ' LYS . 38.4 m-20 -87.81 79.72 8.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 85' ' ' SER . 66.6 p -37.07 -57.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.377 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.3 OUTLIER -37.06 -42.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.991 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -70.2 -54.91 10.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.54 HD11 HD11 ' A' ' 91' ' ' LEU . 3.8 tp -50.03 -64.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.409 ' HA ' HD12 ' A' ' 91' ' ' LEU . 5.1 mt-10 -42.11 -52.77 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -46.84 -55.52 7.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 91' ' ' LEU . 13.7 mm100 -55.38 -56.08 24.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.746 HD21 ' HD2' ' A' ' 44' ' ' PHE . 16.9 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.0 mt -95.71 157.29 36.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.359 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 164.83 32.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.5 t -108.08 110.16 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.708 HD11 HD23 ' A' ' 77' ' ' LEU . 8.7 tp -95.24 113.83 25.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -80.8 109.44 15.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.359 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.665 ' HB2' HD11 ' A' ' 46' ' ' LEU . 1.2 tp -102.49 118.84 37.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.68 ' HE1' HG11 ' A' ' 49' ' ' VAL . 67.2 m-85 -108.25 102.02 11.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -108.79 168.7 9.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.929 ' HG2' HD12 ' A' ' 67' ' ' ILE . 3.3 ptmt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.4 mt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 31' ' ' ASP . 11.7 p -44.39 -41.89 6.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 108.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.467 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 2.1 m-20 -56.82 -64.33 0.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.941 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.5 tt0 -49.06 -53.64 19.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.743 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -40.56 -64.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 37' ' ' LEU . 26.3 mttt -46.77 -52.04 14.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -53.49 -25.9 18.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.941 HG23 ' O ' ' A' ' 32' ' ' GLU . 5.1 t -82.45 -19.3 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.537 HD11 ' CE2' ' A' ' 70' ' ' PHE . 14.3 mt -99.89 -3.65 31.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.486 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -47.82 -52.63 37.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.2 Cg_endo -74.98 1.95 7.16 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.572 1.827 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.561 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 93.8 m-85 -121.61 11.54 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 5.1 mmtm -65.71 -50.95 63.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.77 -10.4 59.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -69.95 -30.85 68.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.631 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 1.6 p90 -161.2 -175.6 4.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.9 mt -97.05 99.83 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.665 HD11 ' HB2' ' A' ' 21' ' ' LEU . 41.2 tp -74.16 107.41 6.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -93.88 98.58 11.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -79.19 105.92 10.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.68 HG11 ' HE1' ' A' ' 22' ' ' PHE . 76.5 t -97.91 126.99 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -87.3 103.02 15.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.255 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.732 HG22 ' HB3' ' A' ' 59' ' ' TRP . 19.7 pt -80.96 -16.15 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.5 p -69.63 -13.46 62.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.8 mt -74.03 158.13 86.13 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -37.74 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -72.25 -18.72 61.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -108.53 7.0 26.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.369 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.6 t -46.43 -31.52 2.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.557 1.16 . . . . 0.0 109.982 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.6 m -62.49 -49.79 74.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.732 ' HB3' HG22 ' A' ' 51' ' ' ILE . 25.8 m95 -54.32 -32.56 56.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 107.969 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.637 ' CD2' HD12 ' A' ' 51' ' ' ILE . 38.0 t80 -80.16 -55.56 4.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 111.052 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -46.58 -30.27 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.576 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -90.4 -35.13 15.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.576 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 27.4 m-85 -130.83 70.56 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -104.44 -17.24 14.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -132.52 9.54 4.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.507 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -121.92 29.86 6.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.929 HD12 ' HG2' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -109.17 162.4 20.23 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.527 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.2 Cg_endo -75.05 149.16 93.29 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.974 0.03 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.567 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 64.6 t -106.27 153.77 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.762 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 94.6 m-85 -137.92 121.39 17.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.567 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 35.8 m170 -113.68 118.63 34.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 109.584 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.539 ' HG ' HD13 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -101.18 115.58 30.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.22 28.51 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.03 39.57 45.45 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.563 1.164 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.03 121.22 6.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 110.318 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.469 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.7 OUTLIER -39.11 111.29 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.708 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -93.74 -41.79 9.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.4 ' HE2' HD21 ' A' ' 77' ' ' LEU . 9.6 ptt? -176.25 148.26 0.77 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.509 ' SD ' ' NE2' ' A' ' 80' ' ' HIS . 2.4 ptt? -143.94 155.36 44.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.509 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 1.7 m170 87.52 9.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.612 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.438 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 3.6 mtt85 163.24 -167.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.243 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.762 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 82.4 t -135.69 83.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.9 m120 -75.9 80.31 2.8 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' ASN . 3.4 p -36.97 -53.28 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.07 -47.63 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.977 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER -66.5 -61.61 1.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.8 tp -42.45 -66.82 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -42.65 -53.17 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.66 -42.47 56.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -67.86 -46.46 71.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 92.0 mt . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.2 mt -87.46 157.32 53.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 162.09 37.79 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.2 t -103.67 124.77 58.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.664 HD11 HD23 ' A' ' 77' ' ' LEU . 7.2 tp -110.8 113.52 26.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 m -79.96 114.2 18.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.619 HD12 ' N ' ' A' ' 22' ' ' PHE . 2.2 tp -107.57 121.74 45.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.624 ' HE1' HG11 ' A' ' 49' ' ' VAL . 64.5 m-85 -111.48 99.22 8.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.463 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -111.75 172.33 6.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.517 ' HG2' HD12 ' A' ' 67' ' ' ILE . 1.4 pttt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 57.7 m -41.74 -66.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 108.354 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -41.32 -54.99 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.457 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.5 tt0 -54.39 -53.44 54.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.747 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -37.55 -59.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.51 ' CG ' HD21 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -45.96 -51.22 13.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -53.41 -28.65 30.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 32' ' ' GLU . 16.7 t -79.83 -20.97 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.588 HD11 ' CE2' ' A' ' 70' ' ' PHE . 15.1 mt -99.01 16.79 21.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.514 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 1.2 mt-30 -65.12 -50.86 58.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.06 0.92 8.35 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.467 1.772 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.51 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 75.8 m-85 -123.26 7.06 9.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.94 -32.48 73.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.32 -15.05 23.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.252 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.446 ' CG ' ' HA ' ' A' ' 40' ' ' TYR . 6.0 mmp_? -69.26 -9.15 51.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.553 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 3.7 p90 178.5 -179.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.2 mt -96.17 99.7 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.629 HD13 HD23 ' A' ' 19' ' ' LEU . 56.7 tp -71.67 111.32 6.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.13 102.89 15.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -83.47 98.89 9.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.264 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.624 HG11 ' HE1' ' A' ' 22' ' ' PHE . 87.8 t -92.54 132.48 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.14 103.39 15.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.787 HD12 ' CD2' ' A' ' 60' ' ' TYR . 13.9 pt -81.96 -14.96 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.461 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 73.5 p -69.67 -6.07 29.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.401 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.9 mt -86.09 158.18 55.94 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -37.81 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.464 1.771 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.55 -26.74 68.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -104.12 7.22 36.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.1 t -40.11 -34.62 0.31 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.556 ' CG2' ' NH2' ' A' ' 62' ' ' ARG . 1.2 m -62.24 -56.92 13.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 110.418 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.6 ' HB3' HG22 ' A' ' 51' ' ' ILE . 23.0 m95 -45.11 -36.97 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 107.984 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.787 ' CD2' HD12 ' A' ' 51' ' ' ILE . 27.7 t80 -79.6 -48.22 14.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.22 -17.48 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.568 ' HD2' ' CE2' ' A' ' 63' ' ' TYR . 1.7 ptp180 -105.58 -28.39 10.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.568 ' CE2' ' HD2' ' A' ' 62' ' ' ARG . 24.4 m-85 -136.46 74.64 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.577 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 0.9 OUTLIER -113.27 -10.31 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.419 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 1.0 OUTLIER -133.75 6.54 3.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.691 ' HB3' ' HE2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -106.7 -46.71 3.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.689 HD13 ' CD1' ' A' ' 51' ' ' ILE . 4.9 pt -35.6 156.53 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.4 Cg_endo -74.95 133.2 30.31 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.003 -0.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.572 HG22 ' HB2' ' A' ' 79' ' ' MET . 73.0 t -103.76 144.94 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.919 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 92.8 m-85 -127.59 125.1 39.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.564 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 41.9 m170 -115.95 121.66 42.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.596 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.466 ' HG ' HD13 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -109.1 120.28 42.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 65.27 37.65 6.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.21 36.92 94.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -148.53 120.6 8.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 110.281 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.508 ' CG ' ' O ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -41.1 106.27 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.098 . . . . 0.0 111.005 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.664 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -84.26 -46.12 12.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -175.73 151.41 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.622 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 4.1 ptt? -147.81 162.64 38.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.691 ' HE2' ' HB3' ' A' ' 66' ' ' ASP . 5.5 m170 87.1 9.25 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.558 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.4 OUTLIER 161.98 -167.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.919 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 40.2 t -133.49 81.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.9 m120 -78.78 81.14 5.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 83' ' ' ASN . 1.4 p -36.69 -55.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.1 -44.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 110.0 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER -67.82 -62.29 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 86' ' ' LYS . 8.9 tp -39.45 -66.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -43.64 -54.95 4.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.94 -53.62 6.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 86' ' ' LYS . 3.2 mp0 -56.5 -54.14 49.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.5 mt -105.81 157.33 34.92 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 163.62 34.96 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.47 1.774 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.0 t -106.76 115.54 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.736 HD23 HD13 ' A' ' 46' ' ' LEU . 7.9 tp -100.66 112.21 24.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -79.6 109.6 14.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.64 HD23 ' HG3' ' A' ' 48' ' ' GLU . 5.7 tp -103.01 122.18 44.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.24 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.632 ' HE1' HG11 ' A' ' 49' ' ' VAL . 70.9 m-85 -110.38 99.52 8.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.481 HG21 ' HE3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -105.43 172.23 6.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.408 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.615 ' HG2' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 30' ' ' CYS . 10.4 mp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 59.7 m -41.75 -41.4 2.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 108.283 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -65.23 -61.48 2.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.557 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -51.98 -48.21 64.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.339 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.776 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -37.79 -61.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.524 ' HG2' HD21 ' A' ' 21' ' ' LEU . 1.1 mttt -46.44 -50.59 16.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -54.76 -26.98 37.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 32' ' ' GLU . 18.0 t -82.91 -19.8 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.582 HD11 ' CE2' ' A' ' 70' ' ' PHE . 14.0 mt -99.55 2.39 44.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.481 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -51.18 -52.77 55.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.05 -0.6 10.19 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.415 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 96.6 m-85 -119.06 19.97 12.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 44' ' ' PHE . 78.4 mttt -77.91 -53.73 7.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -72.96 -12.9 61.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.541 ' CZ ' ' HA ' ' A' ' 43' ' ' ARG . 0.5 OUTLIER -67.44 -48.72 66.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.088 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.831 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.6 p90 -142.03 -174.66 4.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.6 mt -96.1 99.17 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.736 HD13 HD23 ' A' ' 19' ' ' LEU . 41.1 tp -75.54 107.61 7.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -93.76 98.22 10.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.64 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -78.81 105.37 10.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.632 HG11 ' HE1' ' A' ' 22' ' ' PHE . 89.3 t -96.79 130.69 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.465 ' HB2' HD12 ' A' ' 53' ' ' LEU . 2.5 m-20 -91.49 102.66 15.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.7 HD11 ' CD1' ' A' ' 67' ' ' ILE . 17.3 pt -80.0 -23.7 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 13.3 p -61.59 -13.66 23.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.385 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 50' ' ' ASP . 60.9 mt -76.25 158.41 81.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -44.58 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.07 -16.85 62.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -112.31 6.95 19.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.4 t -48.77 -23.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.9 m -69.49 -41.81 75.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.4 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.631 ' HB3' HG22 ' A' ' 51' ' ' ILE . 43.5 m95 -63.41 -30.72 71.81 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.662 ' CD2' HD12 ' A' ' 51' ' ' ILE . 36.4 t80 -82.98 -51.31 7.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -51.74 -20.31 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.527 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 12.8 ptm180 -102.01 -32.5 10.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.267 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.527 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 21.9 m-85 -133.5 74.71 1.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 1.1 pttt -112.83 -7.41 13.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -135.88 15.29 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.655 ' HB3' ' HE2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -114.87 -45.73 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.7 ' CD1' HD11 ' A' ' 51' ' ' ILE . 1.1 pt -35.53 155.64 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.98 131.6 24.76 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.038 -2.484 . . . . 0.0 111.008 -0.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.574 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 92.7 t -101.03 143.57 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.915 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 93.5 m-85 -127.61 121.99 31.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.574 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 42.8 m170 -115.25 119.37 36.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.63 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.466 ' HG ' HD13 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -106.23 120.65 42.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 62.58 53.47 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 48.68 41.02 26.2 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -155.06 119.65 4.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.756 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.572 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -41.35 116.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.724 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -93.17 -43.04 9.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -178.52 151.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.62 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 4.0 ptt? -149.18 162.93 39.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.655 ' HE2' ' HB3' ' A' ' 66' ' ' ASP . 5.5 m170 87.77 10.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.601 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.459 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 161.58 -169.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.915 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 40.4 t -132.67 83.57 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 86' ' ' LYS . 4.6 m-20 -85.79 80.43 8.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 83' ' ' ASN . 32.5 p -36.24 -50.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.3 OUTLIER -38.54 -46.61 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -68.13 -59.58 3.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.508 HD21 ' HE2' ' A' ' 44' ' ' PHE . 9.6 tp -45.95 -65.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.65 -53.37 2.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -45.88 -54.04 8.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 91' ' ' LEU . 34.3 mm-40 -58.82 -54.77 43.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.831 HD21 ' HD2' ' A' ' 44' ' ' PHE . 20.6 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.1 mt -90.1 157.36 45.63 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.098 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 154.18 42.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.449 1.763 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -98.52 110.25 25.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.749 HD11 HD23 ' A' ' 77' ' ' LEU . 7.1 tp -94.71 112.07 23.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -79.35 115.48 19.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 110.406 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.589 HD21 ' CG ' ' A' ' 34' ' ' LYS . 8.6 tp -111.14 122.87 49.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.792 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 83.5 m-85 -111.35 109.81 19.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -121.51 157.82 29.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.35 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.641 ' HD3' HD11 ' A' ' 67' ' ' ILE . 1.4 ptmt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.446 ' C ' ' N ' ' A' ' 31' ' ' ASP . 16.2 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 57.1 m -43.34 -28.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 108.291 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.446 ' N ' ' C ' ' A' ' 29' ' ' LEU . 2.0 t0 -71.59 -50.72 28.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.669 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -68.13 -43.57 78.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.671 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -40.96 -59.26 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.589 ' CG ' HD21 ' A' ' 21' ' ' LEU . 3.8 mtpm? -46.76 -51.11 17.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -54.73 -25.57 28.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 32' ' ' GLU . 11.3 t -82.1 -18.49 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.582 HD11 ' CE1' ' A' ' 70' ' ' PHE . 15.0 mt -100.69 -1.12 36.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -49.8 -51.96 55.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.4 Cg_endo -74.96 0.11 9.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.467 1.772 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.449 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 97.7 m-85 -118.71 13.43 13.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 44' ' ' PHE . 2.0 mtpt -69.59 -50.84 40.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.16 -8.01 56.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -73.79 -36.04 64.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.841 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.4 p90 -156.32 -175.64 5.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.9 mt -96.14 99.64 9.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.645 HD13 HD23 ' A' ' 19' ' ' LEU . 42.5 tp -75.76 106.99 7.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -93.62 98.16 10.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.243 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.556 ' HG3' HD23 ' A' ' 21' ' ' LEU . 1.1 mt-10 -79.62 105.39 10.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.709 HG11 ' HE1' ' A' ' 22' ' ' PHE . 96.1 t -93.42 142.85 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.44 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -102.83 102.92 13.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.714 HG22 ' HB3' ' A' ' 59' ' ' TRP . 24.6 pt -79.91 -17.49 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 36.1 p -69.49 -7.14 35.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.7 mt -82.6 160.04 62.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -39.86 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -74.22 -12.24 60.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 93.7 m-20 -113.41 7.18 17.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.3 t -51.91 -20.78 2.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 m -74.07 -36.9 64.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.393 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.792 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 74.7 m95 -70.13 -12.97 61.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 107.995 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.597 ' CD2' HD12 ' A' ' 51' ' ' ILE . 32.4 t80 -95.0 -57.18 2.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.72 -20.28 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.256 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.569 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 11.0 ptm180 -97.17 -32.04 12.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.569 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 23.4 m-85 -136.58 69.98 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.7 OUTLIER -106.18 -13.81 15.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -140.35 12.28 2.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.442 ' HB3' ' NE2' ' A' ' 80' ' ' HIS . 0.7 OUTLIER -123.45 27.7 7.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.641 HD11 ' HD3' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -103.47 163.92 16.48 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.584 ' HA ' HG22 ' A' ' 67' ' ' ILE . 18.2 Cg_endo -75.04 151.93 97.5 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.975 0.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.563 HG21 ' CG ' ' A' ' 63' ' ' TYR . 57.6 t -107.3 149.17 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.966 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 97.7 m-85 -137.37 118.05 14.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 36.0 m170 -112.4 118.76 36.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.593 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.522 ' HG ' HD13 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -105.27 115.44 30.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.53 29.37 3.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.31 37.5 63.07 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.075 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 76' ' ' PHE . 2.0 mt-30 -149.13 116.0 5.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 0.73 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.558 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -36.45 104.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 111.032 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.749 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -82.67 -42.1 18.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.499 ' HE2' HD21 ' A' ' 77' ' ' LEU . 9.3 ptt? -177.71 150.16 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.539 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 3.3 ptt? -144.74 160.47 41.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.539 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 4.1 m170 87.85 9.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.622 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 158.47 -169.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.966 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 10.3 t -128.46 87.87 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 84' ' ' THR . 29.9 m-20 -82.38 78.39 9.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.087 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 83' ' ' ASN . 78.0 p -36.61 -50.79 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.425 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.1 m -40.38 -49.59 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -65.94 -57.67 7.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.423 HD11 ' CE2' ' A' ' 44' ' ' PHE . 13.2 tp -46.93 -64.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -43.77 -54.9 4.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -46.97 38.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 91' ' ' LEU . 38.9 mm-40 -62.81 -57.73 9.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.841 HD21 ' HD2' ' A' ' 44' ' ' PHE . 18.9 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.5 mt -108.72 157.8 35.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 157.95 42.23 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.557 1.82 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.1 t -100.64 112.29 32.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.896 HD23 HD13 ' A' ' 46' ' ' LEU . 6.1 tp -95.91 112.95 24.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -79.97 118.51 21.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.41 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.677 HD23 ' HG3' ' A' ' 48' ' ' GLU . 5.1 tp -113.38 123.85 51.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.647 ' CE1' HG11 ' A' ' 49' ' ' VAL . 66.3 m-85 -111.41 106.79 15.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.09 160.83 21.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.444 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.564 ' HD3' HD11 ' A' ' 67' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.497 ' N ' HD12 ' A' ' 29' ' ' LEU . 5.3 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 29' ' ' LEU . 37.5 m -41.41 -30.03 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 108.29 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.442 ' N ' ' C ' ' A' ' 29' ' ' LEU . 4.7 m-20 -72.69 -53.36 11.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.704 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -65.14 -41.23 94.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.267 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.737 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -43.2 -59.23 2.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.49 ' CG ' HD21 ' A' ' 21' ' ' LEU . 4.9 mtpm? -46.35 -50.11 16.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -55.4 -28.94 57.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 32' ' ' GLU . 8.9 t -79.53 -17.28 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.559 HD11 ' CE2' ' A' ' 70' ' ' PHE . 16.0 mt -103.23 -6.93 21.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.512 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -46.91 -50.96 42.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.2 Cg_endo -75.06 2.77 6.29 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.571 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 97.1 m-85 -121.91 6.83 9.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -60.5 -41.4 94.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.83 -14.55 44.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -70.27 -20.5 63.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.749 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.9 p90 -172.71 177.48 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.06 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.6 mt -92.6 100.73 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.896 HD13 HD23 ' A' ' 19' ' ' LEU . 39.3 tp -76.58 108.53 9.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -93.57 98.22 11.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.677 ' HG3' HD23 ' A' ' 21' ' ' LEU . 2.1 mt-10 -80.25 106.41 12.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.647 HG11 ' CE1' ' A' ' 22' ' ' PHE . 76.4 t -93.93 143.27 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.92 102.39 12.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.699 HG22 ' HB3' ' A' ' 59' ' ' TRP . 21.5 pt -76.98 -24.04 15.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.8 p -60.33 -14.03 16.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.398 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.2 mt -74.63 153.18 87.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -32.71 5.14 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -75.79 -11.3 59.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' SER . 96.5 m-20 -114.38 7.35 16.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.1 OUTLIER -39.54 -40.79 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -56.6 -53.11 61.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.359 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.699 ' HB3' HG22 ' A' ' 51' ' ' ILE . 24.9 m95 -47.81 -39.27 17.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.167 . . . . 0.0 108.006 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.616 ' CD2' HD12 ' A' ' 51' ' ' ILE . 8.0 t80 -77.07 -49.36 15.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.43 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 2.7 mt-10 -56.56 -16.6 6.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.328 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.654 ' NH1' ' CZ3' ' A' ' 59' ' ' TRP . 6.0 ptp180 -105.57 -28.45 10.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.227 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.568 ' CE2' ' HD2' ' A' ' 62' ' ' ARG . 19.1 m-85 -136.74 74.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.059 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.587 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -110.82 -18.32 13.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -134.76 10.46 3.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.517 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -120.62 29.61 7.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.564 HD11 ' HD3' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -108.41 162.16 20.92 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.526 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.5 Cg_endo -74.94 149.67 94.22 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.011 -0.083 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.578 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 73.6 t -107.46 152.83 8.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.969 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 96.9 m-85 -138.37 124.15 19.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.578 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 31.4 m170 -115.71 118.11 32.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.581 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.5 HD23 ' HA ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -104.5 111.39 24.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 73.21 28.87 1.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.97 40.61 56.81 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -151.92 119.8 6.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 0.746 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.429 ' O ' ' CG ' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -39.55 102.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.598 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -83.23 -42.93 16.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.591 ' HE2' HD21 ' A' ' 77' ' ' LEU . 8.8 ptt? -176.71 149.48 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.523 ' SD ' ' NE2' ' A' ' 80' ' ' HIS . 3.1 ptt? -144.79 158.17 43.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.523 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 3.4 m170 87.93 9.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.573 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 162.69 -170.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.969 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 21.3 t -129.61 84.14 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -75.4 77.65 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.8 p -38.08 -53.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.7 m -40.28 -52.72 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.977 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -61.76 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.5 tp -40.12 -68.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.448 ' HA ' HD12 ' A' ' 91' ' ' LEU . 1.8 mt-10 -42.85 -54.28 4.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.298 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.39 -48.31 7.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 91' ' ' LEU . 16.8 mm100 -65.99 -52.6 47.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.749 HD21 ' HD2' ' A' ' 44' ' ' PHE . 27.9 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 42' ' ' ASP . 28.2 mt -100.54 157.07 34.43 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 163.21 35.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 84.4 t -106.22 113.77 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.741 HD11 HD23 ' A' ' 77' ' ' LEU . 5.7 tp -99.79 112.19 24.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -77.98 124.15 27.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.601 ' HB2' HD11 ' A' ' 46' ' ' LEU . 4.2 tp -117.54 122.25 43.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.813 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 81.0 m-85 -112.43 104.86 13.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.526 HG21 ' HE2' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -114.79 168.89 9.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.372 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.496 ' HD3' HD11 ' A' ' 67' ' ' ILE . 3.9 pttt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' GLU . 16.9 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.0 m -44.88 -37.13 3.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 108.248 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -63.6 -46.2 86.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -71.41 -46.63 59.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.732 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -37.38 -58.31 0.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.534 ' CG ' HD21 ' A' ' 21' ' ' LEU . 10.2 mttt -46.51 -50.19 17.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 32' ' ' GLU . 10.2 mt-10 -55.17 -27.76 48.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 32' ' ' GLU . 16.2 t -80.05 -18.3 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' A' ' 70' ' ' PHE . 16.7 mt -102.04 14.49 31.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.515 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 1.3 mt-30 -64.85 -50.94 60.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.03 2.1 7.02 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.471 ' HA ' ' CG ' ' A' ' 43' ' ' ARG . 85.7 m-85 -122.35 1.13 9.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -30.51 64.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.351 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.514 ' O ' HD13 ' A' ' 16' ' ' LEU . 10.4 t0 -94.4 -18.47 21.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.471 ' CG ' ' HA ' ' A' ' 40' ' ' TYR . 6.1 mmp_? -67.77 -11.54 58.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.722 ' HD2' HD21 ' A' ' 91' ' ' LEU . 3.0 p90 179.23 174.72 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.9 mt -92.25 100.11 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.643 HD13 HD23 ' A' ' 19' ' ' LEU . 58.4 tp -71.92 111.43 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.467 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.69 103.25 15.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 110.288 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.532 ' HG3' HD23 ' A' ' 21' ' ' LEU . 1.5 mt-10 -83.23 100.11 10.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.657 HG11 ' HE1' ' A' ' 22' ' ' PHE . 91.5 t -93.88 137.28 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -97.64 102.85 14.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.593 HD12 ' CD2' ' A' ' 60' ' ' TYR . 15.4 pt -78.11 -19.65 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 15.7 p -65.8 -9.49 28.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.362 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.0 mt -80.77 160.41 66.7 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -42.42 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.444 1.76 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.83 -24.85 65.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -101.29 7.49 42.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.5 t -50.67 -21.75 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -70.64 -46.64 62.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.381 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.813 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 80.6 m95 -63.57 -15.98 59.57 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.593 ' CD2' HD12 ' A' ' 51' ' ' ILE . 39.1 t80 -92.17 -56.86 2.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 34.5 mt-10 -51.76 -19.88 1.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.569 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 10.2 ptm180 -96.87 -35.57 10.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.569 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 22.4 m-85 -131.34 67.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.425 ' NZ ' ' HA ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -100.55 -14.98 17.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -139.85 11.7 2.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.519 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -121.95 34.07 5.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.543 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -109.0 162.77 18.8 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.543 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.96 150.4 95.4 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.996 -0.026 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.53 HG21 ' CG ' ' A' ' 63' ' ' TYR . 66.2 t -108.73 150.01 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.251 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.971 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 96.7 m-85 -137.49 117.79 13.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.148 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.521 ' CE1' ' CG1' ' A' ' 69' ' ' VAL . 1.0 OUTLIER -110.24 119.74 40.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.584 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -105.09 118.2 35.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.8 m120 62.61 54.49 2.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 49.76 41.25 35.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -156.08 120.72 4.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 110.318 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -42.81 119.83 1.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.741 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -96.95 -44.65 6.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.606 ' HE2' HD21 ' A' ' 77' ' ' LEU . 7.8 ptt? -174.32 149.41 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.491 ' O ' ' CB ' ' A' ' 80' ' ' HIS . 2.3 ptt? -143.36 158.51 43.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.491 ' CB ' ' O ' ' A' ' 79' ' ' MET . 2.3 m170 87.97 10.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.614 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 3.2 mtt85 160.25 -169.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.342 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.971 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 15.8 t -129.68 80.46 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' THR . 23.9 m120 -74.04 77.92 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ASN . 80.5 p -37.8 -51.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.4 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.35 -47.37 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.991 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.36 -59.46 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.7 tp -42.12 -66.39 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -45.92 -52.54 11.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.27 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -50.3 -38.72 42.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 91' ' ' LEU . 69.6 mm-40 -72.78 -55.8 6.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.075 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.722 HD21 ' HD2' ' A' ' 44' ' ' PHE . 17.9 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.6 mt -89.56 157.31 47.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.454 ' HB2' ' CD2' ' A' ' 72' ' ' LEU . 18.4 Cg_endo -74.98 169.59 22.29 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.453 1.765 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -111.47 109.88 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.819 HD23 ' CD1' ' A' ' 46' ' ' LEU . 7.0 tp -93.86 110.07 21.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.1 m -81.26 101.07 9.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.352 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.586 ' HB2' HD11 ' A' ' 46' ' ' LEU . 3.5 tp -93.22 118.33 31.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.592 ' HE1' HG11 ' A' ' 49' ' ' VAL . 70.7 m-85 -105.48 100.94 10.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -117.76 173.53 6.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.437 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.521 ' HG2' HD12 ' A' ' 67' ' ' ILE . 1.9 ptmt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.542 ' N ' ' CD1' ' A' ' 29' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 29' ' ' LEU . 35.2 m -41.26 -42.73 2.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 108.333 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.4 -49.5 34.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.519 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -75.9 -48.29 21.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.553 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -37.94 -58.83 0.89 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -46.25 -51.52 14.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -54.03 -27.27 31.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 32' ' ' GLU . 14.3 t -79.59 -17.96 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.567 HD11 ' CE2' ' A' ' 70' ' ' PHE . 12.0 mt -100.73 14.06 32.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.503 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 1.4 mt-30 -62.78 -50.98 75.1 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -74.99 -4.69 15.78 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.503 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 88.6 m-85 -117.81 14.74 14.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -31.03 68.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -99.83 -14.12 18.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.479 ' CG ' ' HA ' ' A' ' 40' ' ' TYR . 5.4 mmp_? -65.89 -21.73 66.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.742 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.6 p90 -168.09 -179.23 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.4 mt -95.04 99.55 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.819 ' CD1' HD23 ' A' ' 19' ' ' LEU . 36.4 tp -75.47 106.03 6.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' LEU . 10.5 tt0 -93.8 98.52 11.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -78.56 101.27 7.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.592 HG11 ' HE1' ' A' ' 22' ' ' PHE . 82.6 t -89.61 138.9 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.413 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 37.1 m-20 -96.24 103.28 15.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.754 HD11 ' CD1' ' A' ' 67' ' ' ILE . 14.7 pt -83.84 -11.01 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 60.4 p -75.78 -6.29 49.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.41 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.3 mt -83.47 159.86 60.55 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.89 2.31 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.483 1.78 . . . . 0.0 111.033 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -72.63 -22.31 60.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 88.8 m-20 -105.93 0.39 25.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.5 t -44.72 -27.27 0.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.1 m -64.48 -45.46 87.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.6 ' HB3' HG22 ' A' ' 51' ' ' ILE . 52.9 m95 -61.44 -27.5 68.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 107.999 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.656 ' CD2' HD12 ' A' ' 51' ' ' ILE . 38.4 t80 -83.51 -53.61 5.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -50.78 -21.16 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.569 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 9.8 ptm180 -100.33 -33.37 10.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.569 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 23.1 m-85 -134.79 75.05 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 2.6 pttt -113.14 -7.6 13.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.415 ' CD2' ' HG3' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -135.63 12.36 3.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -112.18 -43.59 3.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.754 ' CD1' HD11 ' A' ' 51' ' ' ILE . 1.0 OUTLIER -35.94 155.15 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.4 Cg_endo -74.91 131.31 23.75 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.968 -2.513 . . . . 0.0 111.029 -0.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.599 HG12 ' CD2' ' A' ' 71' ' ' HIS . 92.5 t -103.32 123.43 56.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.876 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 93.5 m-85 -104.74 122.73 46.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.599 ' CD2' HG12 ' A' ' 69' ' ' VAL . 43.9 m170 -115.48 120.72 40.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.614 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -109.27 117.16 33.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 65.34 45.21 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.64 31.56 57.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -141.83 112.11 6.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.585 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -36.35 109.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.651 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -85.52 -44.75 12.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.1 ptt? -178.69 152.22 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.593 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 4.3 ptt? -149.31 160.67 43.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.593 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 5.1 m170 87.36 9.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.613 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.1 OUTLIER 163.68 -175.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.876 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 34.2 t -128.65 79.99 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.9 OUTLIER -80.57 81.97 6.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.261 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 85' ' ' SER . 18.0 p -37.42 -55.2 1.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.394 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.2 OUTLIER -36.11 -38.75 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.983 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -76.22 -60.99 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.469 HD11 HD11 ' A' ' 91' ' ' LEU . 5.5 tp -42.6 -64.54 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.546 ' HA ' HD12 ' A' ' 91' ' ' LEU . 3.6 mt-10 -43.55 -57.23 3.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.09 -55.64 5.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 91' ' ' LEU . 1.7 mp0 -53.27 -56.91 12.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.742 HD21 ' HD2' ' A' ' 44' ' ' PHE . 14.0 mt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 42' ' ' ASP . 63.5 mt -93.29 156.91 39.61 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 162.09 37.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.539 1.81 . . . . 0.0 110.947 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.5 t -104.56 122.25 57.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.754 HD11 HD23 ' A' ' 77' ' ' LEU . 7.2 tp -109.17 114.72 28.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -78.75 126.75 31.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.405 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.627 HD12 ' N ' ' A' ' 22' ' ' PHE . 2.4 tp -121.43 122.95 40.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.627 ' N ' HD12 ' A' ' 21' ' ' LEU . 78.3 m-85 -110.64 104.13 12.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.478 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 1.6 t -119.47 151.26 38.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.381 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.637 ' HD3' HD11 ' A' ' 67' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.449 ' C ' ' N ' ' A' ' 31' ' ' ASP . 3.9 mm? . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 35.2 m -41.03 -29.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 108.303 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.449 ' N ' ' C ' ' A' ' 29' ' ' LEU . 5.6 t70 -73.4 -57.06 4.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.573 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -63.45 -44.8 93.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.627 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -39.19 -59.62 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.564 ' CG ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -45.4 -52.0 10.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -53.73 -28.47 34.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 32' ' ' GLU . 13.9 t -78.75 -19.82 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.55 HD11 ' CE2' ' A' ' 70' ' ' PHE . 13.2 mt -99.08 18.32 17.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.509 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 1.2 mt-30 -67.03 -51.24 37.87 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -74.98 -0.46 9.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.555 1.818 . . . . 0.0 111.035 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.407 ' CE2' ' HG2' ' A' ' 39' ' ' PRO . 81.9 m-85 -120.69 6.92 10.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -34.69 78.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.501 ' O ' HD13 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -90.91 -18.18 25.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.428 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 12.4 mmp_? -65.87 -14.79 62.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.713 ' HD2' HD21 ' A' ' 91' ' ' LEU . 2.1 p90 -178.55 175.96 1.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.4 mt -92.68 99.78 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.641 HD13 HD23 ' A' ' 19' ' ' LEU . 55.3 tp -71.57 112.6 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.38 102.93 15.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.422 ' HG3' HD23 ' A' ' 21' ' ' LEU . 5.2 mt-10 -84.19 99.76 10.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.0 t -90.96 144.12 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.11 102.87 12.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.673 HG22 ' HB3' ' A' ' 59' ' ' TRP . 18.5 pt -77.67 -24.65 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 11.8 p -60.58 -14.19 18.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.3 mt -76.0 159.44 80.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -47.2 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.427 1.751 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -59.52 -24.29 63.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -103.86 7.08 36.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.0 t -42.63 -31.01 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.975 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.2 m -67.99 -50.69 54.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.376 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.673 ' HB3' HG22 ' A' ' 51' ' ' ILE . 21.6 m95 -49.14 -31.99 9.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 107.972 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.603 ' CD2' HD12 ' A' ' 51' ' ' ILE . 18.6 t80 -82.85 -50.93 8.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.432 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 4.6 mt-10 -53.49 -18.41 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.635 ' NH1' ' CZ3' ' A' ' 59' ' ' TRP . 9.6 ptp180 -103.26 -31.61 9.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.578 ' CE2' ' HD2' ' A' ' 62' ' ' ARG . 23.5 m-85 -134.3 74.4 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.586 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -110.68 -13.92 14.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.476 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 2.5 p90 -139.26 10.81 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.517 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -121.66 31.37 6.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.348 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.637 HD11 ' HD3' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -108.88 162.93 18.23 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.351 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -75.02 150.12 94.9 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.995 0.025 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.571 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 71.7 t -108.43 151.86 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.992 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 97.1 m-85 -137.76 123.13 19.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.571 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 35.1 m170 -114.79 122.23 45.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.606 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.521 ' HG ' HD13 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -107.35 113.58 27.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 66.54 54.42 0.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 50.33 41.35 39.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -156.26 121.84 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 110.299 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.496 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -43.99 120.83 2.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.989 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.754 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -98.25 -42.63 7.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.552 ' HE2' HD21 ' A' ' 77' ' ' LEU . 8.3 ptt? -176.46 150.2 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.503 ' SD ' ' NE2' ' A' ' 80' ' ' HIS . 2.1 ptt? -144.72 159.1 43.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.939 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.503 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 2.5 m170 88.19 9.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.584 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 4.6 mtt-85 160.46 -170.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.992 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 86.8 t -127.27 83.19 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 84' ' ' THR . 25.5 m120 -73.99 74.73 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 83' ' ' ASN . 41.5 p -36.15 -55.52 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.378 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.3 OUTLIER -38.65 -47.47 1.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.041 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -66.58 -60.98 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.4 tp -42.19 -66.06 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -44.55 -54.99 5.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.03 -41.93 17.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 91' ' ' LEU . 37.8 mm-40 -69.27 -57.89 4.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.713 HD21 ' HD2' ' A' ' 44' ' ' PHE . 17.0 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.7 mt -96.19 157.11 36.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 164.03 34.11 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -107.06 114.72 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.761 HD11 HD23 ' A' ' 77' ' ' LEU . 7.0 tp -102.81 113.87 27.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 m -77.64 125.94 30.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.642 ' HB2' HD11 ' A' ' 46' ' ' LEU . 1.7 tp -118.26 119.52 34.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.611 ' N ' HD12 ' A' ' 21' ' ' LEU . 69.4 m-85 -109.1 100.59 9.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.462 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -112.39 173.54 6.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.703 ' HB2' HG22 ' A' ' 52' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.1 mt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.447 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 71.1 m -42.76 -61.06 1.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 108.314 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -44.77 -54.46 6.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -57.06 -54.24 49.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.339 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.758 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -36.61 -57.32 0.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.527 ' CG ' HD21 ' A' ' 21' ' ' LEU . 9.6 mtpt -46.8 -50.61 18.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' GLU . 9.2 mt-10 -54.23 -26.2 27.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 33' ' ' ALA . 12.1 t -82.7 -17.47 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.603 HD11 ' CE2' ' A' ' 70' ' ' PHE . 15.5 mt -102.4 0.31 33.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.49 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -50.33 -52.3 55.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.2 Cg_endo -74.98 0.6 8.7 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.511 1.795 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.403 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 98.0 m-85 -119.3 14.22 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 44' ' ' PHE . 14.1 mttt -70.85 -46.66 62.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.8 -9.66 59.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -72.81 -29.18 63.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.803 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.5 p90 -164.28 -179.28 5.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.2 mt -94.05 97.73 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.642 HD11 ' HB2' ' A' ' 21' ' ' LEU . 50.2 tp -72.01 111.7 7.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.65 102.79 15.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.117 . . . . 0.0 110.31 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -82.91 99.55 9.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.57 HG11 ' HE1' ' A' ' 22' ' ' PHE . 83.9 t -93.27 134.18 31.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.345 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.27 103.27 15.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.855 HD12 ' CD2' ' A' ' 60' ' ' TYR . 11.5 pt -80.8 -18.82 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.703 HG22 ' HB2' ' A' ' 24' ' ' LYS . 34.4 p -64.2 -11.77 34.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.1 mt -81.28 158.99 68.66 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -45.11 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.799 . . . . 0.0 111.003 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -63.6 -21.68 66.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -105.67 -0.02 25.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 60' ' ' TYR . 40.9 t -40.17 -47.78 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.027 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.0 m -44.45 -48.74 10.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.656 ' HB3' HG22 ' A' ' 51' ' ' ILE . 54.2 m95 -55.93 -39.44 71.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.855 ' CD2' HD12 ' A' ' 51' ' ' ILE . 21.1 t80 -74.14 -52.8 11.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -51.12 -25.0 4.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.551 ' NE ' ' CE2' ' A' ' 63' ' ' TYR . 8.1 ptm180 -97.61 -28.18 14.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.327 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.551 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 23.4 m-85 -137.14 72.67 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 0.4 OUTLIER -109.84 -15.36 14.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.41 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 1.5 p90 -130.18 6.46 4.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.58 1.175 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.48 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -105.45 -46.38 4.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.701 HD13 ' CD1' ' A' ' 51' ' ' ILE . 5.0 pt -35.77 155.47 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.5 Cg_endo -74.96 133.56 31.94 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.036 -0.076 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.565 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 77.3 t -103.66 136.8 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.887 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 95.7 m-85 -119.73 123.94 44.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.565 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 45.5 m170 -115.48 123.14 47.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.597 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -109.29 116.91 32.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.88 52.72 2.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 50.79 41.32 43.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.96 118.53 4.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 110.353 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.565 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -42.41 110.86 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.022 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.761 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -86.8 -44.8 11.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -177.11 152.21 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.615 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 4.2 ptt? -148.88 160.54 43.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.615 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 5.6 m170 87.37 8.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.615 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 3.2 ptp180 163.69 -174.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.887 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 48.2 t -130.46 80.14 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 84' ' ' THR . 5.7 m-20 -81.26 83.37 6.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 85' ' ' SER . 19.4 p -37.99 -54.24 1.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.1 OUTLIER -36.45 -41.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 109.99 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -59.63 2.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.1 tp -47.68 -60.96 2.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -44.4 -55.19 5.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.0 -51.22 24.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 91' ' ' LEU . 33.5 mm-40 -58.31 -59.98 4.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.803 HD21 ' HD2' ' A' ' 44' ' ' PHE . 18.0 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.0 mt -87.35 157.15 53.57 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 162.97 36.17 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.463 1.77 . . . . 0.0 111.019 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.4 t -105.97 111.58 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.678 HD11 HD23 ' A' ' 77' ' ' LEU . 5.5 tp -98.73 109.18 21.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.8 m -78.13 113.14 15.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.565 HD23 ' HG3' ' A' ' 48' ' ' GLU . 5.4 tp -104.81 122.78 46.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.618 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 65.8 m-85 -106.19 99.64 9.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -105.97 171.14 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.438 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.704 ' HG2' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.529 ' N ' HD12 ' A' ' 29' ' ' LEU . 3.0 mp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 31' ' ' ASP . 12.3 p -47.35 -41.36 19.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 108.289 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.462 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 2.2 m-20 -62.97 -62.72 1.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.642 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -49.86 -54.17 21.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.712 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -40.14 -60.64 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' LEU . 3.1 mttt -46.12 -52.02 12.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -52.93 -25.88 13.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 32' ' ' GLU . 13.3 t -82.29 -22.08 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.583 HD11 ' CE2' ' A' ' 70' ' ' PHE . 16.2 mt -98.31 -3.81 36.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.504 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -47.42 -51.55 42.68 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.04 1.74 7.43 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.453 1.765 . . . . 0.0 111.038 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.542 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 97.9 m-85 -121.58 9.21 10.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 44' ' ' PHE . 1.4 mmmt -61.86 -46.23 90.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.11 -17.69 42.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -62.39 -28.27 69.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.346 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.631 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 1.9 p90 -163.72 -176.79 4.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.1 mt -95.68 99.99 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.58 HD13 HD23 ' A' ' 19' ' ' LEU . 34.5 tp -74.56 105.52 5.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -93.46 98.09 10.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.565 ' HG3' HD23 ' A' ' 21' ' ' LEU . 2.1 mt-10 -78.21 103.51 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.504 HG11 ' HE1' ' A' ' 22' ' ' PHE . 94.6 t -93.58 126.74 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.401 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 1.7 m-20 -87.34 102.91 14.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.74 HD11 ' CD1' ' A' ' 67' ' ' ILE . 14.8 pt -80.18 -18.73 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.594 HG22 ' HB2' ' A' ' 24' ' ' LYS . 30.1 p -70.56 -6.16 34.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.387 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.7 mt -78.76 159.9 73.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -37.58 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.86 -15.89 59.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.335 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 86.7 m-20 -110.57 5.86 21.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.48 -23.31 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.033 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.3 m -67.7 -53.01 31.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.423 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.622 ' HB3' HG22 ' A' ' 51' ' ' ILE . 59.5 m95 -52.49 -28.3 19.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 108.021 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.713 ' CD2' HD12 ' A' ' 51' ' ' ILE . 32.5 t80 -82.51 -53.39 6.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -52.06 -19.84 2.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.575 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -101.07 -32.31 10.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.575 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 24.7 m-85 -136.24 76.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.572 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 4.8 pttt -114.08 -1.71 13.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -140.12 15.53 2.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.402 1.064 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -119.0 -41.58 2.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.74 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.9 OUTLIER -36.48 155.04 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.1 Cg_endo -75.02 130.14 20.51 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.001 -2.5 . . . . 0.0 110.975 0.022 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.563 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 72.2 t -97.0 134.04 36.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.924 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 92.6 m-85 -116.5 120.2 38.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.585 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 37.4 m170 -114.88 116.95 29.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.591 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -103.08 119.54 39.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 62.35 52.95 2.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 49.21 41.5 30.98 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -154.94 120.35 5.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 110.299 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.585 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 1.1 t80 -41.96 113.5 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.678 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -90.5 -43.39 10.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.447 ' HA ' ' CE1' ' A' ' 76' ' ' PHE . 8.9 ptt? -177.28 148.19 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 111.063 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.542 ' SD ' ' NE2' ' A' ' 80' ' ' HIS . 3.7 ptt? -144.99 161.47 39.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.542 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 4.5 m170 88.52 9.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.572 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 3.5 mtt85 161.11 -167.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.924 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 22.0 t -131.69 80.63 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 84' ' ' THR . 3.3 m-20 -80.03 77.9 6.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 83' ' ' ASN . 81.2 p -36.16 -52.18 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.412 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.2 OUTLIER -37.86 -44.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.016 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -62.51 1.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.609 HD21 ' HE2' ' A' ' 44' ' ' PHE . 12.8 tp -41.51 -67.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -41.41 -52.39 3.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -50.15 -54.07 23.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -58.75 -49.24 78.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.346 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.9 mt -104.99 157.01 35.16 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.92 42.97 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.4 t -100.37 116.0 42.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.716 HD23 HD13 ' A' ' 46' ' ' LEU . 8.5 tp -102.84 110.1 21.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.408 ' HB ' ' HB2' ' A' ' 71' ' ' HIS . 45.8 m -80.8 109.1 15.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.683 ' HB2' HD11 ' A' ' 46' ' ' LEU . 8.3 tp -100.3 122.71 43.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.437 ' CZ ' ' CZ3' ' A' ' 59' ' ' TRP . 70.4 m-85 -105.32 99.31 8.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -107.46 171.4 7.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.769 ' HG2' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.414 ' CD2' ' N ' ' A' ' 29' ' ' LEU . 1.1 mm? . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.478 ' SG ' ' N ' ' A' ' 31' ' ' ASP . 11.6 p -40.52 -42.19 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.286 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.478 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -57.09 -65.3 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.914 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -53.6 -50.41 65.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 110.266 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.767 ' HA ' HG21 ' A' ' 82' ' ' VAL . . . -41.84 -62.59 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 37' ' ' LEU . 2.0 mttm -46.63 -53.06 12.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -53.47 -26.53 20.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 32' ' ' GLU . 6.3 t -82.0 -19.82 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.587 HD11 ' CE2' ' A' ' 70' ' ' PHE . 15.4 mt -100.92 -1.43 34.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.492 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -49.69 -52.16 53.43 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.285 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.0 1.11 8.1 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.51 1.795 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.417 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 97.8 m-85 -119.85 12.34 12.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -68.4 -53.44 23.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.53 -13.83 60.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -64.73 -42.7 95.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.837 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.1 p90 -149.46 -172.89 4.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 10.4 mt -98.84 98.78 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.716 HD13 HD23 ' A' ' 19' ' ' LEU . 41.6 tp -75.28 107.17 7.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -93.68 97.82 10.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.433 ' OE2' ' NZ ' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -77.89 106.74 9.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.434 HG11 ' HE1' ' A' ' 22' ' ' PHE . 72.4 t -95.35 129.16 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.41 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 8.5 m-20 -87.87 103.06 15.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.728 HD11 ' CD1' ' A' ' 67' ' ' ILE . 14.2 pt -82.71 -14.3 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 4.8 p -73.95 -4.38 34.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.403 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.4 mt -82.76 159.34 63.69 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -35.27 3.25 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -77.29 -12.41 59.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 90.4 m-20 -115.49 6.11 14.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.18 -29.65 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.026 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -65.45 -45.66 82.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.43 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.706 ' HB3' HG22 ' A' ' 51' ' ' ILE . 44.5 m95 -57.92 -29.53 65.2 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.718 ' CD2' HD12 ' A' ' 51' ' ' ILE . 31.9 t80 -82.22 -56.75 3.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -50.92 -21.36 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.341 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.584 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 11.0 ptm180 -98.23 -30.91 12.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.584 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 21.7 m-85 -138.71 74.71 1.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.624 ' CE ' ' CE2' ' A' ' 65' ' ' PHE . 3.7 pttt -109.99 -35.22 6.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.624 ' CE2' ' CE ' ' A' ' 64' ' ' LYS . 11.5 m-85 -106.63 12.37 29.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -111.62 -46.14 3.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.769 HD12 ' HG2' ' A' ' 24' ' ' LYS . 1.5 pt -36.16 155.27 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -75.02 131.32 23.84 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.048 -2.48 . . . . 0.0 111.003 0.036 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.558 HG12 ' CD2' ' A' ' 71' ' ' HIS . 91.6 t -99.45 139.63 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.926 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 89.6 m-85 -122.6 121.39 36.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.573 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 44.7 m170 -115.24 117.84 31.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.527 ' HG ' HD13 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -105.32 123.33 47.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 62.13 44.73 7.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.28 41.4 79.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -154.48 119.65 5.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.769 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.573 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -39.68 107.96 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 111.028 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.708 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -85.53 -44.57 12.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.4 ' HA ' ' CE1' ' A' ' 76' ' ' PHE . 9.8 ptt? -175.52 148.39 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.571 ' HG3' ' CE1' ' A' ' 80' ' ' HIS . 5.2 ptp -145.11 162.69 36.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.571 ' CE1' ' HG3' ' A' ' 79' ' ' MET . 6.7 m170 87.82 8.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.617 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.464 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 160.7 -174.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.926 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 7.9 t -124.01 81.81 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 84' ' ' THR . 1.7 m120 -81.2 77.71 8.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.427 ' CG2' HG12 ' A' ' 36' ' ' VAL . 24.9 p -36.29 -48.95 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.412 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m -41.39 -49.99 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -64.4 -56.11 16.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.447 HD21 ' HE2' ' A' ' 44' ' ' PHE . 6.8 tp -47.24 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -41.59 -53.25 3.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.97 -54.42 6.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' LEU . 48.7 mm-40 -58.74 -55.21 38.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.837 HD21 ' HD2' ' A' ' 44' ' ' PHE . 19.4 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.8 mt -92.29 156.85 41.41 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 166.64 28.78 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.543 1.812 . . . . 0.0 111.05 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.0 t -109.35 116.94 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.088 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.7 HD11 HD23 ' A' ' 77' ' ' LEU . 7.0 tp -102.67 112.17 24.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.112 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.49 114.46 17.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.422 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.605 ' HB2' HD11 ' A' ' 46' ' ' LEU . 6.3 tp -109.3 122.73 47.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.819 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 89.2 m-85 -114.67 107.35 15.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.447 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 1.5 t -121.67 152.66 39.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 110.399 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.65 ' HD3' HD11 ' A' ' 67' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 32' ' ' GLU . 18.8 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.447 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 35.8 m -43.78 -30.96 0.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 108.298 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.411 ' N ' ' C ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -68.96 -49.17 60.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.483 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -68.77 -45.8 70.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.734 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -38.53 -58.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.588 ' CG ' HD21 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -46.66 -49.16 19.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 32' ' ' GLU . 10.0 mt-10 -56.37 -27.14 55.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 32' ' ' GLU . 14.8 t -80.79 -17.43 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.552 HD11 ' CE1' ' A' ' 70' ' ' PHE . 16.5 mt -102.52 10.41 38.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.509 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 1.1 mt-30 -61.43 -51.19 79.21 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.01 -1.57 11.4 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.454 1.765 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.468 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 98.0 m-85 -116.43 2.78 13.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -58.77 -31.58 68.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -94.38 -16.25 23.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -70.21 -10.03 57.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.592 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 2.3 p90 176.77 175.23 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 57.7 mt -91.02 98.99 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.628 HD13 HD23 ' A' ' 19' ' ' LEU . 57.6 tp -71.4 111.21 6.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.348 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.454 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.61 102.95 15.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.457 ' HG3' HD23 ' A' ' 21' ' ' LEU . 2.8 mt-10 -84.4 100.29 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.702 HG11 ' HE1' ' A' ' 22' ' ' PHE . 96.4 t -93.9 147.71 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.2 102.87 12.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.625 HD12 ' CD2' ' A' ' 60' ' ' TYR . 13.7 pt -80.04 -11.08 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.447 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 21.6 p -75.42 0.24 17.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.422 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.0 mt -92.0 160.1 36.43 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -37.66 1.91 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.503 1.791 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -72.53 -20.88 61.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.349 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -106.26 7.71 31.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.4 t -49.58 -22.08 1.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -70.03 -49.84 47.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.819 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 78.9 m95 -59.22 -19.65 47.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 108.012 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.625 ' CD2' HD12 ' A' ' 51' ' ' ILE . 38.2 t80 -88.95 -56.18 3.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -52.22 -20.03 2.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.568 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 9.4 ptm180 -96.82 -31.48 12.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.697 ' CG ' HG21 ' A' ' 69' ' ' VAL . 22.3 m-85 -135.48 66.77 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.09 -9.21 20.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.477 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 2.3 p90 -147.48 17.28 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 111.038 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.477 ' OD1' ' CD1' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -129.4 30.37 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.65 HD11 ' HD3' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -104.36 163.91 16.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.568 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.97 151.81 97.4 Favored 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.988 0.013 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.697 HG21 ' CG ' ' A' ' 63' ' ' TYR . 71.8 t -107.88 149.99 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.958 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 97.3 m-85 -138.17 117.42 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.555 ' CE1' ' CG1' ' A' ' 69' ' ' VAL . 1.4 m-70 -110.84 117.45 33.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.612 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -103.46 118.61 37.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 68.11 24.91 7.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.29 39.11 32.23 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -150.97 119.11 6.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.462 ' O ' ' CG ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -38.23 101.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.7 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -80.52 -43.73 20.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.647 ' HE2' HD21 ' A' ' 77' ' ' LEU . 7.0 ptt? -175.62 149.65 1.0 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.519 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 3.2 ptt? -143.35 158.52 43.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.519 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 3.4 m170 87.68 9.64 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.64 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.476 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 7.5 mtt180 160.45 -168.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.958 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 16.4 t -129.93 81.05 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 86' ' ' LYS . 2.3 m120 -73.99 78.72 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 83' ' ' ASN . 1.4 p -37.34 -49.04 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.374 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.3 t -42.08 -48.22 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.527 ' HD2' HD12 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -67.73 -60.41 2.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.419 HD11 HD11 ' A' ' 91' ' ' LEU . 16.6 tp -40.56 -67.19 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -44.5 -55.92 4.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.06 -49.34 8.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -62.29 -55.77 25.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.461 HD21 ' HD2' ' A' ' 44' ' ' PHE . 69.2 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.6 mt -99.93 157.17 34.38 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.37 27.2 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.45 1.763 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.3 t -110.38 110.12 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.841 HD23 ' CD1' ' A' ' 46' ' ' LEU . 7.3 tp -95.93 111.6 23.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.2 m -84.37 106.36 15.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.439 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.484 ' HB2' HD11 ' A' ' 46' ' ' LEU . 18.8 tp -97.6 119.68 36.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.357 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.565 ' CD1' ' HB ' ' A' ' 49' ' ' VAL . 72.1 m-85 -105.11 100.78 10.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -120.18 175.03 6.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.408 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.46 ' N ' ' OG1' ' A' ' 23' ' ' THR . 2.2 ptmt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 32' ' ' GLU . 5.8 mt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 34.1 m -42.5 -29.57 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 108.303 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.454 ' N ' ' C ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -61.65 -51.62 67.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -71.87 -49.11 40.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.549 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -36.79 -57.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' CE ' HG21 ' A' ' 23' ' ' THR . 47.9 mttt -46.47 -50.83 16.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 32' ' ' GLU . 8.8 mt-10 -54.83 -26.07 32.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 33' ' ' ALA . 13.7 t -81.46 -16.2 12.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.551 HD11 ' CE2' ' A' ' 70' ' ' PHE . 13.9 mt -103.83 -0.74 28.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.47 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -50.34 -53.16 47.77 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.2 Cg_endo -75.01 1.25 7.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -119.86 12.96 12.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 44' ' ' PHE . 9.0 mtmp? -69.56 -51.95 30.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -15.51 60.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.424 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 4.0 mmp_? -63.89 -46.86 82.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.783 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.3 p90 -145.01 -176.77 5.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.7 mt -95.51 99.83 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.841 ' CD1' HD23 ' A' ' 19' ' ' LEU . 32.2 tp -76.57 105.34 7.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.591 1.182 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -93.6 98.49 11.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.423 ' HG3' HD23 ' A' ' 21' ' ' LEU . 2.2 mt-10 -79.31 105.16 10.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.565 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 77.1 t -93.48 133.31 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -91.55 103.3 15.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.745 HD12 ' CD2' ' A' ' 60' ' ' TYR . 11.2 pt -82.91 -9.78 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 24' ' ' LYS . 15.6 p -77.34 -2.3 34.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.373 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 53' ' ' LEU . 28.5 mt -86.4 161.43 48.69 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -38.2 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.541 1.811 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.21 -26.72 62.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -102.06 6.89 41.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 t -50.98 -22.0 2.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.9 m -68.23 -51.75 41.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.382 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.618 ' CB ' HG22 ' A' ' 51' ' ' ILE . 68.8 m95 -54.78 -28.83 51.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 108.025 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.745 ' CD2' HD12 ' A' ' 51' ' ' ILE . 31.1 t80 -80.37 -53.13 6.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.97 -18.45 3.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.261 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.562 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 9.1 ptm180 -102.6 -30.44 10.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.562 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 24.8 m-85 -140.33 76.73 1.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.584 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 23.1 pttt -116.85 -5.16 11.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -135.94 9.75 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.648 ' HB3' ' HE2' ' A' ' 80' ' ' HIS . 1.5 m-20 -113.08 -40.67 3.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.677 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.9 OUTLIER -36.01 155.45 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.97 130.95 22.61 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.025 -0.101 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.586 HG12 ' CD2' ' A' ' 71' ' ' HIS . 62.8 t -102.9 121.22 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.916 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 94.5 m-85 -101.76 123.34 45.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.586 ' CD2' HG12 ' A' ' 69' ' ' VAL . 33.2 m170 -115.93 117.44 30.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 109.625 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -106.13 119.49 39.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 62.29 51.98 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 48.83 37.58 21.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.95 115.56 5.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 0.777 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.58 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -38.93 111.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.639 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -88.46 -45.46 9.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.2 ptt? -177.4 150.21 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.592 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 3.8 ptt? -146.38 161.89 39.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.648 ' HE2' ' HB3' ' A' ' 66' ' ' ASP . 5.1 m170 87.53 9.91 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.595 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.482 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 15.1 mtt180 159.93 -173.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.916 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 21.0 t -123.26 81.44 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 86' ' ' LYS . 3.1 t-20 -74.83 75.57 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' ASN . 1.3 p -37.41 -53.07 1.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.143 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.8 t -41.69 -45.45 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.968 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER -69.7 -56.02 8.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.416 HD11 ' HE2' ' A' ' 44' ' ' PHE . 4.3 tp -47.53 -65.53 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.446 ' HA ' HD12 ' A' ' 91' ' ' LEU . 2.1 mt-10 -43.07 -49.87 6.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -54.64 33.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.427 ' HG3' HD13 ' A' ' 77' ' ' LEU . 13.4 mm100 -54.74 -51.32 66.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.783 HD21 ' HD2' ' A' ' 44' ' ' PHE . 35.0 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 34.1 mt -101.66 157.31 33.92 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.61 16.03 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.454 1.765 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.2 t -115.46 115.07 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.248 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.84 HD23 HD13 ' A' ' 46' ' ' LEU . 6.5 tp -98.7 111.0 23.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m -78.65 106.19 10.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.377 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.735 HD23 ' HG3' ' A' ' 48' ' ' GLU . 5.5 tp -100.57 122.33 43.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.646 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 61.3 m-85 -107.81 103.26 12.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.577 HG21 ' HE2' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -117.64 171.31 8.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.406 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.702 ' HG2' HD12 ' A' ' 67' ' ' ILE . 3.0 pttt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' CYS . 7.9 mp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' LEU . 44.7 m -40.39 -46.11 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 108.321 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -54.23 -58.1 8.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.649 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -61.07 -45.86 93.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.752 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -39.11 -61.29 0.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.577 ' HE2' HG21 ' A' ' 23' ' ' THR . 13.4 mttt -45.93 -51.71 12.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -54.22 -28.92 44.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 32' ' ' GLU . 17.4 t -78.84 -21.42 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.562 HD11 ' CE2' ' A' ' 70' ' ' PHE . 12.4 mt -96.92 18.29 14.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.515 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 1.3 mt-30 -66.4 -50.85 46.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.01 0.85 8.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.545 1.813 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.572 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 74.6 m-85 -124.78 -0.2 8.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' LEU . 15.2 pttp -61.22 -22.24 64.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -103.7 -15.33 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.789 ' HD2' HD13 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -70.63 -13.37 62.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.601 ' HD2' HD21 ' A' ' 91' ' ' LEU . 6.4 p90 -173.78 179.18 2.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.6 mt -95.58 98.88 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.84 HD13 HD23 ' A' ' 19' ' ' LEU . 52.1 tp -73.3 108.84 6.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -93.55 98.81 11.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.735 ' HG3' HD23 ' A' ' 21' ' ' LEU . 2.2 mt-10 -80.07 101.86 8.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.513 HG11 ' CE1' ' A' ' 22' ' ' PHE . 94.4 t -88.23 138.87 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -99.48 102.95 14.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.707 HG22 ' HB3' ' A' ' 59' ' ' TRP . 24.4 pt -77.86 -26.99 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.506 HG23 ' HB2' ' A' ' 24' ' ' LYS . 4.8 p -56.59 -16.98 7.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.4 mt -70.64 157.57 89.85 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -37.42 2.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.87 -35.33 76.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.252 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 59' ' ' TRP . 87.4 m-20 -91.15 7.5 40.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.2 t -44.38 -27.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -70.83 -42.47 70.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.434 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.707 ' HB3' HG22 ' A' ' 51' ' ' ILE . 48.0 m95 -61.3 -16.14 42.65 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.601 ' CD2' HD12 ' A' ' 51' ' ' ILE . 28.6 t80 -96.35 -54.44 3.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.419 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 10.2 mt-10 -51.19 -20.43 1.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.561 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 11.1 ptm180 -99.21 -34.35 10.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.239 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.561 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 22.5 m-85 -131.13 71.29 1.47 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.505 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -109.33 -6.12 15.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.427 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 0.9 OUTLIER -143.15 14.13 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.96 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.663 ' HB3' ' HE2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -111.6 -46.23 3.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.702 HD12 ' HG2' ' A' ' 24' ' ' LYS . 5.3 pt -35.79 156.73 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.2 Cg_endo -75.03 135.31 39.91 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.021 -0.041 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.563 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 97.0 t -105.64 139.66 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.93 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 95.5 m-85 -122.65 123.53 41.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.563 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 45.8 m170 -115.52 122.23 45.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.622 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -106.51 113.43 26.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 72' ' ' LEU . 9.0 m-80 64.11 56.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 48.82 41.78 28.27 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -153.25 123.36 6.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.784 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.55 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -48.22 111.04 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.766 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -88.59 -44.56 10.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.266 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.405 ' O ' ' HB2' ' A' ' 70' ' ' PHE . 9.2 ptt? -177.43 151.81 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.62 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 4.1 ptt? -149.4 163.46 37.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.663 ' HE2' ' HB3' ' A' ' 66' ' ' ASP . 6.0 m170 87.22 10.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.574 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.466 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 160.94 -170.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.93 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 48.2 t -129.96 83.51 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 84' ' ' THR . 7.2 m120 -83.76 76.76 9.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 83' ' ' ASN . 2.4 p -35.47 -46.98 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.415 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.6 -46.07 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.475 ' HD3' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -69.83 -62.42 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.467 HD12 ' HG ' ' A' ' 91' ' ' LEU . 4.2 tp -39.83 -68.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -41.48 -52.15 3.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.36 -63.22 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 91' ' ' LEU . 14.0 mm100 -51.71 -53.78 35.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.789 HD13 ' HD2' ' A' ' 43' ' ' ARG . 21.6 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.67 123.02 19.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.779 . . . . 0.0 110.014 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.5 p -58.6 -19.67 40.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.0 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.05 166.7 8.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.448 1.092 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.42 115.8 3.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 0.774 . . . . 0.0 110.034 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.31 95.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.28 143.41 18.05 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -165.52 155.86 13.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.766 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.03 142.89 40.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.86 -56.67 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.008 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 56.69 71.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.7 p -166.8 156.44 11.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.966 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -52.39 166.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 14' ' ' ARG . 5.0 ptt180 -109.29 116.52 32.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.16 116.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.418 HD13 ' O ' ' A' ' 42' ' ' ASP . 18.3 mt -96.65 157.65 34.94 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.403 ' HB2' ' CD2' ' A' ' 72' ' ' LEU . 18.2 Cg_endo -74.96 157.85 42.69 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.1 t -100.32 110.92 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.692 HD11 HD23 ' A' ' 77' ' ' LEU . 7.4 tp -93.24 111.5 23.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -79.86 102.0 8.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.397 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.566 HD12 ' N ' ' A' ' 22' ' ' PHE . 2.6 tp -95.14 121.41 36.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.62 ' HE1' HG11 ' A' ' 49' ' ' VAL . 57.9 m-85 -109.61 98.67 7.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.447 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -101.74 165.32 11.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.421 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.852 ' HG2' HD12 ' A' ' 67' ' ' ILE . 1.7 ptmt -156.46 -178.39 7.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.54 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -160.58 149.43 13.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.97 133.91 33.53 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 121.061 -2.475 . . . . 0.0 111.003 -0.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.434 ' N ' ' HA ' ' A' ' 25' ' ' ALA . 1.5 m -162.36 104.55 1.1 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 0.0 108.32 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.62 8.69 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.503 1.791 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.431 ' C ' ' N ' ' A' ' 31' ' ' ASP . 18.8 mt -85.36 -60.72 1.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.447 ' HB2' ' CB ' ' A' ' 23' ' ' THR . 14.7 p -48.61 -24.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.269 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.431 ' N ' ' C ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -70.84 -56.4 6.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.624 ' O ' HG23 ' A' ' 36' ' ' VAL . 3.9 tt0 -61.87 -49.39 76.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.718 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -37.99 -61.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.456 ' CG ' HD21 ' A' ' 21' ' ' LEU . 4.6 mtpm? -45.43 -52.31 10.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -53.18 -29.1 29.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 32' ' ' GLU . 13.2 t -78.57 -19.28 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.562 HD11 ' CE2' ' A' ' 70' ' ' PHE . 16.2 mt -101.57 19.79 17.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.509 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 1.2 mt-30 -69.09 -51.14 18.8 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.568 ' HG2' ' CE1' ' A' ' 40' ' ' TYR . 18.3 Cg_endo -75.03 0.79 8.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.568 ' CE1' ' HG2' ' A' ' 39' ' ' PRO . 55.9 m-85 -123.19 10.42 9.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -62.95 -33.1 74.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.418 ' O ' HD13 ' A' ' 16' ' ' LEU . 1.1 p-10 -97.26 -13.88 21.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.43 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 4.9 mmp_? -68.76 -9.01 48.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.737 ' HD2' HD21 ' A' ' 91' ' ' LEU . 2.5 p90 178.69 177.97 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 12.8 mt -92.48 100.43 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.605 HD13 HD23 ' A' ' 19' ' ' LEU . 42.4 tp -73.68 105.66 5.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' LEU . 13.8 tt0 -93.77 98.43 11.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.522 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -79.5 108.41 13.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.62 HG11 ' HE1' ' A' ' 22' ' ' PHE . 94.0 t -100.73 127.6 53.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -86.65 103.15 14.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.757 ' CD1' HD13 ' A' ' 67' ' ' ILE . 22.5 pt -81.67 -19.3 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.1 p -66.93 -10.29 47.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 mt -80.72 160.11 67.52 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -45.48 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.769 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -62.42 -21.14 65.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -108.1 4.67 25.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.2 t -45.1 -33.12 2.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 m -58.62 -54.62 45.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.455 ' HB3' HG22 ' A' ' 51' ' ' ILE . 63.5 m95 -49.74 -43.93 48.18 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.586 ' CD2' HD12 ' A' ' 51' ' ' ILE . 42.7 t80 -67.64 -55.81 11.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.953 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -45.86 -35.42 4.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.51 ' NE ' ' CE2' ' A' ' 63' ' ' TYR . 8.6 ptm180 -88.55 -29.25 20.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.51 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 21.4 m-85 -134.82 68.13 1.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.58 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -103.61 -17.09 15.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.469 ' CD2' ' HG3' ' A' ' 64' ' ' LYS . 1.3 p90 -132.25 5.77 4.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.492 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -117.33 29.48 7.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.852 HD12 ' HG2' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -109.11 162.59 19.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.534 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.98 147.63 89.75 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.97 -2.513 . . . . 0.0 111.007 -0.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.527 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 45.8 t -104.06 152.11 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.935 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 96.7 m-85 -137.28 118.7 14.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.551 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 36.3 m170 -112.21 118.4 35.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.623 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 1.054 HD13 HD11 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -103.75 112.3 25.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 72.51 28.97 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.47 38.82 57.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -149.9 117.52 6.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.551 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -38.17 102.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.692 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -82.48 -43.52 17.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.523 ' HE2' HD21 ' A' ' 77' ' ' LEU . 8.9 ptt? -175.62 149.05 0.94 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.527 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 3.1 ptt? -144.45 157.88 44.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.527 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 3.3 m170 87.53 9.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.596 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.424 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.5 OUTLIER 164.34 -166.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.935 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 21.6 t -135.54 80.23 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' THR . 1.7 m120 -76.22 77.29 3.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 83' ' ' ASN . 18.2 p -35.76 -53.72 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.41 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' THR . 3.9 t -39.14 -49.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -64.09 -51.31 64.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.464 HD21 ' HE2' ' A' ' 44' ' ' PHE . 7.7 tp -51.12 -63.82 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -41.66 -53.53 3.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.39 -61.25 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 91' ' ' LEU . 15.5 mm100 -53.5 -53.21 54.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.737 HD21 ' HD2' ' A' ' 44' ' ' PHE . 23.1 mt -40.46 -59.27 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -41.19 -59.28 1.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 110.249 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -124.16 115.91 21.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.054 HD11 HD13 ' A' ' 72' ' ' LEU . 3.0 mt -140.23 -72.66 0.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.4 m -58.12 -55.66 32.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.527 1.142 . . . . 0.0 110.083 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.5 -175.29 31.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 108.88 2.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.63 98.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.032 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.86 108.39 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.052 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t 66.31 156.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.937 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 m -137.37 169.33 17.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.963 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.46 179.48 21.67 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.517 1.135 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 p -167.01 165.63 15.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 0.761 . . . . 0.0 109.955 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.34 169.9 23.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.8 -146.99 5.85 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -173.65 155.69 2.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.64 172.21 15.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.38 150.07 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -175.2 144.55 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.85 169.64 8.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.13 162.55 13.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.76 132.23 45.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -172.41 117.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.2 mt -100.59 157.13 34.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 164.46 33.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -108.21 107.94 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.669 HD11 HD23 ' A' ' 77' ' ' LEU . 5.8 tp -90.87 109.56 20.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.4 m -78.69 99.9 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.398 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.604 ' HB2' HD11 ' A' ' 46' ' ' LEU . 2.2 tp -91.29 121.68 33.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.692 ' CZ ' ' CZ3' ' A' ' 59' ' ' TRP . 72.6 m-85 -108.2 100.18 9.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.48 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -108.35 161.9 14.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.907 ' HG2' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -157.0 -176.71 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.543 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -150.9 147.3 20.57 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.03 135.03 38.59 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.013 -2.495 . . . . 0.0 110.972 0.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.41 ' N ' ' HA ' ' A' ' 25' ' ' ALA . 8.7 t -156.35 102.7 2.04 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 108.338 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -14.94 21.09 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.56 1.821 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 29' ' ' LEU . 6.2 mp -77.91 -54.74 5.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.48 ' HB2' ' CB ' ' A' ' 23' ' ' THR . 12.1 p -41.7 -38.77 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 108.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.417 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 1.5 t70 -65.91 -56.45 11.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -58.7 -52.79 64.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.651 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -38.74 -58.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -45.64 -51.26 12.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -53.47 -28.55 31.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 32' ' ' GLU . 15.7 t -79.14 -19.16 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.522 HD11 ' CE2' ' A' ' 70' ' ' PHE . 16.6 mt -102.24 19.12 19.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.511 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 1.3 mt-30 -69.46 -50.65 18.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.5 Cg_endo -74.98 0.89 8.35 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.781 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.569 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 59.7 m-85 -127.55 21.29 6.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.81 -18.95 45.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -106.78 -15.11 14.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.98 -32.33 70.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.787 ' HD2' HD21 ' A' ' 91' ' ' LEU . 4.5 p90 -151.88 178.63 9.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.7 mt -94.91 99.91 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.34 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.644 ' CD1' HD23 ' A' ' 19' ' ' LEU . 42.3 tp -71.68 104.85 3.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 21' ' ' LEU . 14.9 tt0 -93.96 98.78 11.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.426 ' HG3' HD23 ' A' ' 21' ' ' LEU . 1.7 mt-10 -77.68 105.73 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.572 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 81.4 t -96.82 122.99 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.01 103.17 12.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.704 ' CD1' HD13 ' A' ' 67' ' ' ILE . 16.1 pt -81.81 -11.55 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.571 HG22 ' HB2' ' A' ' 24' ' ' LYS . 69.0 p -76.7 -0.26 22.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.9 mt -88.08 160.99 45.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -40.21 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.52 1.8 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.99 -22.36 63.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -105.87 6.04 31.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.4 t -46.82 -25.29 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.012 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 m -66.64 -59.12 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.692 ' CZ3' ' CZ ' ' A' ' 22' ' ' PHE . 69.3 m95 -46.13 -34.14 4.03 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.658 ' CD2' HD12 ' A' ' 51' ' ' ILE . 35.8 t80 -76.89 -55.65 5.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.12 -28.56 4.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.543 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 12.6 ptp180 -91.11 -30.29 16.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.543 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 28.4 m-85 -137.76 70.07 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -102.39 -20.02 14.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -128.76 7.11 5.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.487 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -120.33 30.37 7.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.907 HD12 ' HG2' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -108.25 163.04 17.83 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.542 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.2 Cg_endo -75.03 148.44 91.7 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.985 0.061 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.622 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 48.6 t -106.3 149.33 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.966 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 93.8 m-85 -132.42 116.84 17.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.622 ' CE1' ' CG1' ' A' ' 69' ' ' VAL . 1.3 m-70 -110.76 117.09 32.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.602 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 1.032 HD13 HD11 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -102.28 117.43 34.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.559 ' OD1' HD13 ' A' ' 94' ' ' LEU . 4.4 m120 62.65 50.93 3.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 52.77 41.44 57.94 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -154.37 118.54 4.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 0.762 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.75 117.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 111.05 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.669 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -95.41 -44.64 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.661 ' HE2' HD21 ' A' ' 77' ' ' LEU . 7.9 ptt? -174.87 149.07 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.505 ' C ' ' CG ' ' A' ' 80' ' ' HIS . 2.3 ptt? -142.51 156.41 45.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.505 ' CG ' ' C ' ' A' ' 79' ' ' MET . 1.6 m170 87.5 9.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.608 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 1.3 mtt85 161.82 -167.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.265 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.966 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 57.7 t -132.67 80.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -70.26 81.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.4 p -37.37 -53.03 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.375 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.91 -51.62 3.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.007 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -60.54 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.543 HD11 HD11 ' A' ' 91' ' ' LEU . 3.2 tp -40.01 -68.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.637 ' HA ' HD12 ' A' ' 91' ' ' LEU . 4.9 mt-10 -43.97 -49.79 8.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.57 -61.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 91' ' ' LEU . 15.5 mm100 -53.74 -53.35 53.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.787 HD21 ' HD2' ' A' ' 44' ' ' PHE . 32.1 mt -39.19 -61.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -38.22 -59.15 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.259 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.09 121.51 22.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.032 HD11 HD13 ' A' ' 72' ' ' LEU . 4.6 mt -134.3 -70.41 0.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 58.2 m 56.0 81.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.966 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -129.02 173.32 19.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 166.16 29.73 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.437 1.756 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -133.6 160.07 38.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 110.002 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.5 t -141.19 162.07 36.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.059 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.934 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.34 156.97 43.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 110.0 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.1 p -65.52 151.11 47.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.06 -93.71 0.1 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.9 78.07 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.953 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.8 m -151.32 127.37 10.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.1 -129.98 2.82 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.453 1.096 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 64.31 112.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 0.806 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 mt -129.01 171.14 12.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m -112.72 159.88 18.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 109.996 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -137.86 172.39 13.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.1 p -148.03 147.94 30.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -56.25 157.77 4.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -113.16 90.65 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -159.76 139.06 11.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.2 mt -87.05 151.62 52.02 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 159.08 41.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.53 1.805 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.4 t -105.78 115.7 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.757 HD11 HD23 ' A' ' 77' ' ' LEU . 6.2 tp -100.87 115.11 29.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 m -77.41 123.43 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.658 ' HB2' HD11 ' A' ' 46' ' ' LEU . 1.5 tp -117.45 121.2 40.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.655 ' N ' HD12 ' A' ' 21' ' ' LEU . 69.3 m-85 -110.61 98.53 7.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.492 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -104.52 170.11 8.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.416 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.874 ' HG2' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -163.47 -176.61 4.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.548 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -154.15 149.49 20.7 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.5 Cg_endo -74.99 134.29 35.28 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.024 -0.018 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.414 ' N ' ' HA ' ' A' ' 25' ' ' ALA . 14.2 t -157.37 102.19 1.87 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.113 . . . . 0.0 108.306 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -5.69 17.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.534 1.808 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.9 mt -87.23 -50.07 6.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.492 ' HB2' ' CB ' ' A' ' 23' ' ' THR . 14.4 p -48.17 -26.51 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.294 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.16 -58.14 3.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.726 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -54.5 -53.02 59.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.672 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -39.79 -62.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -45.25 -52.34 9.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -53.45 -28.98 33.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 32' ' ' GLU . 8.1 t -78.37 -18.28 13.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.54 HD11 ' CE2' ' A' ' 70' ' ' PHE . 14.1 mt -101.15 19.4 17.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.505 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 1.1 mt-30 -69.07 -51.27 18.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.4 Cg_endo -75.0 1.17 8.03 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.48 ' CE2' ' HG2' ' A' ' 39' ' ' PRO . 70.8 m-85 -122.81 4.42 9.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -61.51 -35.78 78.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.91 -17.57 26.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.438 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 3.5 mmp_? -64.54 -27.81 69.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.671 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.8 p90 -163.88 178.34 7.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.9 mt -93.78 98.68 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.658 HD11 ' HB2' ' A' ' 21' ' ' LEU . 60.3 tp -71.8 112.54 7.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.455 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.95 103.5 15.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.32 101.12 11.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 67.9 t -97.14 133.02 40.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.406 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 15.0 m-20 -92.93 103.1 15.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.725 ' CD1' HD13 ' A' ' 67' ' ' ILE . 13.2 pt -81.78 -15.79 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.796 HG22 ' HB2' ' A' ' 24' ' ' LYS . 20.1 p -70.8 -9.77 58.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 53' ' ' LEU . 37.3 mt -80.27 160.41 68.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -37.83 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.542 1.812 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -63.98 -38.7 92.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 76.2 m-20 -94.7 7.14 46.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.3 t -43.44 -28.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.3 m -65.19 -59.65 3.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.585 ' CE3' ' HD3' ' A' ' 62' ' ' ARG . 51.6 m95 -43.6 -40.61 4.14 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.713 ' CD2' HD12 ' A' ' 51' ' ' ILE . 33.0 t80 -69.78 -57.41 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -43.17 -37.41 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.262 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.635 ' NE ' ' CE2' ' A' ' 63' ' ' TYR . 17.6 ptm180 -85.73 -35.87 20.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.244 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.635 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 19.9 m-85 -127.45 69.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.584 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -104.68 -15.98 15.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -135.01 16.2 3.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.52 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -128.82 31.51 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.874 HD12 ' HG2' ' A' ' 24' ' ' LYS . 0.6 OUTLIER -110.47 162.73 19.34 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.538 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.4 Cg_endo -74.97 150.14 94.98 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.022 -0.001 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.559 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 71.5 t -107.37 151.9 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.849 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 96.5 m-85 -136.53 119.26 16.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.559 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 38.0 m170 -113.02 117.74 32.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.605 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.818 HD22 HD21 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -99.55 113.14 25.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.3 m120 65.43 49.63 1.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.248 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 56.07 41.48 85.45 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -153.18 122.26 6.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.784 . . . . 0.0 110.265 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.554 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.4 OUTLIER -45.81 113.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.757 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -93.4 -42.61 9.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.544 ' HE2' HD21 ' A' ' 77' ' ' LEU . 7.8 ptt? -176.86 149.74 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.95 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.512 ' SD ' ' NE2' ' A' ' 80' ' ' HIS . 2.2 ptt? -143.83 157.44 44.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 111.031 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.512 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 1.9 m170 87.82 9.15 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.637 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 162.17 -166.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.849 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 66.5 t -132.36 80.18 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 86' ' ' LYS . 77.2 m-20 -71.8 76.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.1 p -37.2 -48.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.411 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -40.94 -45.61 2.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.991 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -69.55 -62.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.43 HD11 ' HE2' ' A' ' 44' ' ' PHE . 16.4 tp -40.6 -67.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -42.09 -51.33 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.259 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -51.67 -45.37 63.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 91' ' ' LEU . 62.2 mm-40 -64.75 -58.8 5.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.671 HD21 ' HD2' ' A' ' 44' ' ' PHE . 16.0 mt -39.06 -56.87 1.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.4 mtm-85 -40.47 -57.43 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -113.35 95.79 5.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.818 HD21 HD22 ' A' ' 72' ' ' LEU . 14.6 tp -160.87 -66.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.87 76.53 1.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.3 165.32 12.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.954 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.93 25.96 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.99 147.71 28.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.963 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.55 125.76 19.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 110.02 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.469 1.106 . . . . 0.0 110.969 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -85.78 166.58 15.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.7 p -178.32 82.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.33 141.35 3.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.72 146.83 4.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 t -126.49 143.78 51.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.15 78.92 0.12 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -142.09 127.95 19.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.53 -61.99 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.27 140.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.09 176.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 t -131.97 110.02 10.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.932 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -177.81 97.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.71 125.11 52.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -169.41 124.3 0.83 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.454 HD13 ' O ' ' A' ' 42' ' ' ASP . 21.1 mt -118.03 157.09 49.49 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.439 ' HB2' ' CD2' ' A' ' 72' ' ' LEU . 18.4 Cg_endo -75.0 157.78 42.57 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.47 1.773 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.2 t -101.31 102.04 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.827 HD23 HD13 ' A' ' 46' ' ' LEU . 6.7 tp -85.02 110.08 18.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.2 m -81.28 104.93 12.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.438 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.739 HD23 ' HG3' ' A' ' 48' ' ' GLU . 6.9 tp -95.78 124.96 40.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.787 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 61.3 m-85 -108.88 98.87 8.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.42 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -108.84 164.87 12.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.42 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.742 ' HG2' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -153.91 -177.1 6.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.534 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -155.15 141.0 12.78 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.97 133.36 31.06 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.041 -2.483 . . . . 0.0 110.978 -0.05 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.438 ' N ' ' HA ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -165.39 101.85 0.77 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 108.31 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -42.9 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.0 mt -48.15 -27.44 2.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.42 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 94.6 m -78.52 -59.34 2.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 108.289 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.75 -53.59 14.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -56.33 -52.71 63.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 110.298 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.703 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -38.47 -57.46 1.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.564 ' CG ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -45.99 -50.88 14.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 32' ' ' GLU . 7.8 mt-10 -53.93 -27.28 29.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' ALA . 14.3 t -80.6 -19.21 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.536 HD11 ' CE2' ' A' ' 70' ' ' PHE . 17.0 mt -101.71 14.26 32.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.513 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 1.2 mt-30 -63.66 -51.13 68.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.248 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.0 Cg_endo -75.04 0.71 8.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.769 . . . . 0.0 111.004 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.468 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 81.9 m-85 -121.5 7.9 10.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -34.09 74.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.454 ' O ' HD13 ' A' ' 16' ' ' LEU . 2.1 t0 -93.67 -16.25 24.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.416 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 10.6 mmp_? -67.89 -11.37 58.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.793 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.9 p90 178.35 175.15 0.57 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.137 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.6 mt -90.58 100.72 11.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.827 HD13 HD23 ' A' ' 19' ' ' LEU . 42.8 tp -76.19 106.52 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 21' ' ' LEU . 5.5 tt0 -93.83 98.27 10.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.739 ' HG3' HD23 ' A' ' 21' ' ' LEU . 3.8 mt-10 -79.09 106.47 11.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.443 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 76.2 t -99.06 127.39 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.626 ' HB3' HD23 ' A' ' 53' ' ' LEU . 2.8 m-20 -85.97 102.55 13.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.852 HD12 ' CD2' ' A' ' 60' ' ' TYR . 7.4 pt -80.28 0.42 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.713 ' C ' HD22 ' A' ' 53' ' ' LEU . 1.6 p -87.92 20.09 3.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.379 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.713 HD22 ' C ' ' A' ' 52' ' ' THR . 2.2 mm? -117.34 160.05 39.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -27.93 9.6 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.465 1.771 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 6.8 pt-20 -68.95 -38.99 79.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 23.5 m-20 -99.62 6.49 45.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.343 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' ASN . 2.5 t -38.84 -32.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 56' ' ' ASN . 2.2 m -62.78 -57.4 11.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.433 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.787 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 76.8 m95 -46.08 -37.47 6.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 108.044 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.852 ' CD2' HD12 ' A' ' 51' ' ' ILE . 30.8 t80 -74.92 -53.74 8.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.441 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 2.2 mt-10 -50.91 -22.35 2.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.628 ' NE ' ' CE2' ' A' ' 63' ' ' TYR . 9.1 ptm180 -99.54 -28.98 12.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.628 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 21.9 m-85 -136.28 68.84 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -103.14 -14.78 16.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.437 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 3.9 p90 -138.09 10.71 2.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.467 ' HB3' ' NE2' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -122.97 31.02 6.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.742 HD12 ' HG2' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -106.35 164.19 15.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.574 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.2 Cg_endo -74.99 152.24 97.95 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.962 -2.516 . . . . 0.0 111.024 -0.038 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.594 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 71.9 t -107.43 151.69 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 1.01 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 96.4 m-85 -137.81 113.66 9.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.594 ' CE1' ' CG1' ' A' ' 69' ' ' VAL . 0.7 OUTLIER -108.58 117.22 33.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.576 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.974 HD13 HD22 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -100.25 114.88 28.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.35 29.69 4.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.36 34.06 58.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.82 116.35 8.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -37.62 106.87 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.689 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -86.98 -44.17 11.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.538 ' HE2' HD21 ' A' ' 77' ' ' LEU . 7.8 ptt? -174.46 149.42 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.496 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 2.6 ptt? -143.67 159.93 41.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.496 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 3.2 m170 87.79 9.94 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.597 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 1.4 mtt180 159.33 -168.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.353 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 1.01 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 17.9 t -127.37 79.58 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.9 m120 -71.51 76.14 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.7 p -38.11 -52.18 1.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.438 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.35 -43.46 1.76 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -69.55 -61.85 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.506 HD11 ' CE2' ' A' ' 44' ' ' PHE . 12.5 tp -39.91 -66.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -43.04 -56.35 3.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.3 -43.32 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 91' ' ' LEU . 34.6 mm-40 -69.61 -56.02 8.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.793 HD21 ' HD2' ' A' ' 44' ' ' PHE . 17.2 mt -38.73 -60.29 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -39.47 -56.65 1.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -108.51 93.68 4.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.974 HD22 HD13 ' A' ' 72' ' ' LEU . 12.6 tp -165.69 -63.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.64 139.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.035 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -92.37 142.72 16.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.8 21.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.557 1.819 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.6 p -85.74 99.18 11.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.99 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 72.9 m -116.52 92.37 3.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 t -177.24 118.23 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 0.739 . . . . 0.0 109.962 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 p -173.78 165.38 4.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.974 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.37 124.26 0.7 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.84 131.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.978 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.52 150.61 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.65 154.42 25.36 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -139.11 161.89 36.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.761 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -99.06 107.09 19.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.86 160.52 19.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.55 158.34 29.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.37 169.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.029 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -117.95 170.83 8.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -137.75 93.89 2.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -164.42 117.16 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.7 mt -107.06 157.1 36.17 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 161.14 39.09 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.0 t -103.81 111.26 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.253 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.661 HD11 HD23 ' A' ' 77' ' ' LEU . 7.5 tp -93.3 110.85 22.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -78.98 104.36 9.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.375 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.583 HD12 ' N ' ' A' ' 22' ' ' PHE . 2.1 tp -98.53 120.06 38.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.692 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 65.2 m-85 -109.91 100.82 9.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.479 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -107.75 164.56 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.408 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.909 ' HG2' HD12 ' A' ' 67' ' ' ILE . 2.0 ptmt -159.58 -176.83 5.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.546 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -149.12 145.16 18.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.05 140.9 69.82 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.976 0.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.7 t -161.48 102.9 1.21 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 108.312 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -16.94 19.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 29' ' ' LEU . 1.9 mp -77.6 -52.81 8.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.479 ' HB2' ' CB ' ' A' ' 23' ' ' THR . 9.3 p -41.74 -39.0 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.358 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.426 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 0.7 OUTLIER -66.2 -61.68 1.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.728 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -53.47 -53.35 52.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.75 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -38.66 -63.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' LEU . 5.4 mtpm? -45.5 -53.39 8.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 2.6 mt-10 -52.47 -28.13 19.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 32' ' ' GLU . 16.7 t -79.78 -22.38 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.573 HD11 ' CE2' ' A' ' 70' ' ' PHE . 13.7 mt -96.84 15.82 21.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.503 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 1.4 mt-30 -63.96 -50.85 67.68 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -74.98 0.35 9.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.571 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 71.1 m-85 -125.44 30.12 5.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -88.79 -13.9 38.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.18 -14.54 13.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.605 ' HD2' HD13 ' A' ' 91' ' ' LEU . 0.6 OUTLIER -73.76 -12.69 60.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.709 ' HD2' HD21 ' A' ' 91' ' ' LEU . 4.2 p90 -173.93 176.67 2.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.9 mt -94.82 101.78 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.655 HD13 HD23 ' A' ' 19' ' ' LEU . 40.5 tp -71.4 107.89 4.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -94.94 98.57 10.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.338 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.486 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -81.36 108.85 15.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.553 HG11 ' HE1' ' A' ' 22' ' ' PHE . 76.8 t -103.18 125.05 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.582 ' CB ' HD23 ' A' ' 53' ' ' LEU . 12.2 m-20 -85.18 102.62 13.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.895 HD12 ' CD2' ' A' ' 60' ' ' TYR . 7.7 pt -80.88 -2.2 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.586 ' C ' HD22 ' A' ' 53' ' ' LEU . 41.2 p -81.74 6.92 13.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.598 HD22 ' N ' ' A' ' 53' ' ' LEU . 0.8 OUTLIER -104.79 159.01 30.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.418 ' HA ' ' HB2' ' A' ' 57' ' ' SER . 18.3 Cg_endo -75.03 -28.33 9.21 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.501 1.79 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 6.5 pt-20 -66.08 -38.74 89.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 25.7 m-20 -99.55 7.59 45.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 56' ' ' ASN . 33.3 t -37.52 -33.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 56' ' ' ASN . 4.4 m -63.65 -54.44 35.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.692 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 58.0 m95 -48.07 -32.59 6.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 107.998 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.895 ' CD2' HD12 ' A' ' 51' ' ' ILE . 24.2 t80 -81.84 -52.98 6.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.433 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 2.1 mt-10 -51.44 -20.98 2.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.57 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 11.2 ptm180 -99.42 -31.7 11.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.277 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.57 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 27.2 m-85 -134.32 71.13 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.962 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -105.09 -11.68 16.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -138.65 11.26 2.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.499 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -123.97 29.19 6.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.909 HD12 ' HG2' ' A' ' 24' ' ' LYS . 0.6 OUTLIER -107.62 162.37 20.0 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.529 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.4 Cg_endo -75.0 148.05 90.79 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.956 -2.519 . . . . 0.0 111.019 -0.022 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.673 ' CG1' ' CE1' ' A' ' 71' ' ' HIS . 54.9 t -105.63 152.66 7.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.869 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 96.5 m-85 -137.32 118.26 14.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.673 ' CE1' ' CG1' ' A' ' 69' ' ' VAL . 1.9 m-70 -112.34 117.46 32.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.592 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.86 HD13 HD11 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -101.22 115.32 30.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 69.32 28.99 4.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.89 35.41 54.35 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.16 120.37 9.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -40.81 106.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.661 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -86.24 -42.67 13.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.559 ' HE2' HD21 ' A' ' 77' ' ' LEU . 9.0 ptt? -176.48 149.21 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.521 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 2.9 ptt? -144.65 157.07 44.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.521 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 3.0 m170 87.52 10.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.6 OUTLIER 162.15 -167.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.869 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 12.8 t -137.01 88.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.6 m120 -83.21 82.3 8.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 83' ' ' ASN . 12.8 p -37.06 -53.72 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 110.374 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.5 t -39.82 -47.81 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -65.0 -61.75 1.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.7 tp -40.23 -65.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -40.76 -57.92 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.21 -56.02 2.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.083 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -58.93 -53.8 54.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.709 HD21 ' HD2' ' A' ' 44' ' ' PHE . 33.1 mt -45.04 -53.66 7.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -38.4 -53.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -111.28 -87.24 0.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.86 HD11 HD13 ' A' ' 72' ' ' LEU . 1.4 mt 76.67 -52.77 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.0 t 49.14 88.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.037 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -115.73 157.38 15.05 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 81.0 2.31 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.781 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.2 p -99.29 117.62 34.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.951 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.0 m -153.46 104.31 2.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.3 m 63.83 133.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 0.753 . . . . 0.0 110.04 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 m -159.42 -58.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.014 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.01 136.28 4.73 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.431 1.082 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 t 58.19 80.01 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 0.773 . . . . 0.0 109.991 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.66 162.31 32.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.045 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.04 61.0 0.65 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.539 1.149 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -85.18 141.25 30.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.4 mt -111.62 -64.3 1.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.91 -59.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.08 . . . . 0.0 109.972 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 61.01 160.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.7 t -166.74 152.68 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.946 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -152.28 136.49 16.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.6 mtt85 -130.8 139.08 50.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 64.96 133.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.4 mt -108.72 157.51 36.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 179.43 6.09 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.1 t -121.76 113.02 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.894 HD23 HD13 ' A' ' 46' ' ' LEU . 8.4 tp -96.67 111.53 23.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 m -81.19 101.66 9.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.637 HD23 ' HG3' ' A' ' 48' ' ' GLU . 6.2 tp -96.23 122.23 38.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.702 ' HE1' HG11 ' A' ' 49' ' ' VAL . 72.1 m-85 -111.51 103.89 12.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.473 HG21 ' HE3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -114.45 171.76 7.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.379 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.591 ' HG2' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -156.78 -177.37 6.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.535 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -155.09 145.92 16.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -75.01 134.12 34.49 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.993 0.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.436 ' N ' ' HA ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -161.44 112.14 1.23 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 108.301 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 29' ' ' LEU . 18.4 Cg_endo -74.96 -51.0 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.486 1.782 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' PRO . 7.4 mt -39.42 -60.88 0.87 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.43 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 82.1 m -41.63 -67.03 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 108.294 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' CYS . 3.0 m-20 -40.13 -58.37 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -53.19 -56.33 17.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.634 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -36.68 -58.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.526 ' CG ' HD21 ' A' ' 21' ' ' LEU . 6.8 mttt -46.5 -50.6 16.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 32' ' ' GLU . 7.7 mt-10 -53.77 -26.49 23.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 33' ' ' ALA . 14.8 t -81.88 -19.29 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.574 HD11 ' CE2' ' A' ' 70' ' ' PHE . 14.5 mt -100.91 -2.88 30.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -48.0 -51.81 45.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.343 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -74.94 -1.07 10.72 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.462 1.77 . . . . 0.0 111.0 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.575 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 96.2 m-85 -120.89 24.18 10.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 10.4 mtpt -81.92 -40.85 21.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.43 -13.19 52.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.485 ' HD2' HD13 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -70.8 -25.25 62.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.746 ' HD2' HD21 ' A' ' 91' ' ' LEU . 5.6 p90 -164.54 -172.26 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.8 mt -100.63 98.98 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.894 HD13 HD23 ' A' ' 19' ' ' LEU . 44.7 tp -75.22 107.59 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 21' ' ' LEU . 5.3 tt0 -93.62 98.48 11.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.637 ' HG3' HD23 ' A' ' 21' ' ' LEU . 3.9 mt-10 -80.6 101.97 9.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.702 HG11 ' HE1' ' A' ' 22' ' ' PHE . 76.2 t -90.74 138.45 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.406 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 1.0 OUTLIER -97.43 103.14 15.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.776 HD12 ' CD2' ' A' ' 60' ' ' TYR . 13.0 pt -82.52 -14.52 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.452 HG22 ' HB2' ' A' ' 24' ' ' LYS . 69.3 p -71.12 -5.6 32.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.431 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.8 mt -83.55 160.38 59.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -39.88 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -65.91 -39.29 90.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.424 ' C ' ' N ' ' A' ' 58' ' ' THR . 83.7 m-20 -88.34 5.98 39.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.4 t -42.94 -27.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.995 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.424 ' N ' ' C ' ' A' ' 56' ' ' ASN . 1.9 m -65.54 -58.96 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.631 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 59.9 m95 -44.69 -33.5 1.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.776 ' CD2' HD12 ' A' ' 51' ' ' ILE . 29.5 t80 -78.96 -53.02 7.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -53.43 -18.82 2.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.604 ' NE ' ' CE2' ' A' ' 63' ' ' TYR . 9.3 ptm180 -102.34 -30.11 11.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.604 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 28.4 m-85 -138.82 76.24 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 4.5 pttt -114.6 -3.25 12.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -139.48 12.18 2.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 67' ' ' ILE . 2.1 m-20 -114.64 -41.58 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.685 ' CD1' HD11 ' A' ' 51' ' ' ILE . 1.7 pt -36.86 155.41 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.99 130.83 22.32 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.012 -0.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.557 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 98.1 t -97.4 138.97 20.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.951 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 88.6 m-85 -122.91 119.64 31.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.579 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 41.4 m170 -114.82 117.23 30.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.608 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 1.07 HD13 HD11 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -105.44 121.6 44.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.858 ' ND2' HD22 ' A' ' 94' ' ' LEU . 19.3 m-80 62.19 50.76 3.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 50.49 41.35 41.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.95 121.71 5.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.295 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.579 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.9 OUTLIER -44.15 108.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.7 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -83.74 -45.75 13.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.439 ' HE2' HD21 ' A' ' 77' ' ' LEU . 8.8 ptt? -174.76 149.78 1.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.579 ' HG3' ' CE1' ' A' ' 80' ' ' HIS . 5.4 ptp -145.96 163.17 36.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 111.067 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.579 ' CE1' ' HG3' ' A' ' 79' ' ' MET . 6.7 m170 87.91 9.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.635 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 158.19 -170.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 110.272 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.951 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 12.4 t -125.87 89.37 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 86' ' ' LYS . 38.4 m-20 -87.81 79.72 8.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 85' ' ' SER . 66.6 p -37.07 -57.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.377 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.3 OUTLIER -37.06 -42.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.991 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -70.2 -54.91 10.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.54 HD11 HD11 ' A' ' 91' ' ' LEU . 3.8 tp -50.03 -64.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.409 ' HA ' HD12 ' A' ' 91' ' ' LEU . 5.1 mt-10 -42.11 -52.77 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -46.84 -55.52 7.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 91' ' ' LEU . 13.7 mm100 -55.38 -56.08 24.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.746 HD21 ' HD2' ' A' ' 44' ' ' PHE . 16.9 mt -39.58 -59.34 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 -39.08 -55.62 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -110.95 102.18 10.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.07 HD11 HD13 ' A' ' 72' ' ' LEU . 7.5 mt -161.62 -58.76 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.82 -65.29 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.118 . . . . 0.0 110.012 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.72 177.68 26.99 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 59.31 5.13 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.5 t -54.18 111.26 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.94 149.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -123.13 151.98 41.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 109.985 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.6 p -120.11 164.16 16.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.001 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.88 94.3 0.28 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 t -128.78 -58.49 1.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 0.0 110.023 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t -160.33 98.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.9 159.44 13.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -124.63 155.93 38.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.6 118.49 7.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.1 t -179.16 111.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -146.89 148.69 32.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.8 m -159.54 143.35 14.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -151.32 128.74 11.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -148.59 135.29 19.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 63.25 142.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.0 mt -95.71 157.29 36.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.359 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 164.83 32.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.5 t -108.08 110.16 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.708 HD11 HD23 ' A' ' 77' ' ' LEU . 8.7 tp -95.24 113.83 25.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -80.8 109.44 15.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.359 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.665 ' HB2' HD11 ' A' ' 46' ' ' LEU . 1.2 tp -102.49 118.84 37.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.68 ' HE1' HG11 ' A' ' 49' ' ' VAL . 67.2 m-85 -108.25 102.02 11.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -108.79 168.7 9.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.929 ' HG2' HD12 ' A' ' 67' ' ' ILE . 3.3 ptmt -157.54 -176.68 6.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.546 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -153.71 144.82 16.26 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.1 Cg_endo -75.06 140.4 67.02 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.965 0.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 16.2 t -161.41 100.07 1.24 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 108.302 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -12.46 21.43 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.534 1.807 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.4 mt -76.31 -47.73 22.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 31' ' ' ASP . 11.7 p -44.39 -41.89 6.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 108.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.467 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 2.1 m-20 -56.82 -64.33 0.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.941 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.5 tt0 -49.06 -53.64 19.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.743 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -40.56 -64.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 37' ' ' LEU . 26.3 mttt -46.77 -52.04 14.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -53.49 -25.9 18.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.941 HG23 ' O ' ' A' ' 32' ' ' GLU . 5.1 t -82.45 -19.3 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.537 HD11 ' CE2' ' A' ' 70' ' ' PHE . 14.3 mt -99.89 -3.65 31.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.486 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -47.82 -52.63 37.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.2 Cg_endo -74.98 1.95 7.16 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.572 1.827 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.561 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 93.8 m-85 -121.61 11.54 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 5.1 mmtm -65.71 -50.95 63.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.77 -10.4 59.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -69.95 -30.85 68.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.631 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 1.6 p90 -161.2 -175.6 4.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.9 mt -97.05 99.83 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.665 HD11 ' HB2' ' A' ' 21' ' ' LEU . 41.2 tp -74.16 107.41 6.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -93.88 98.58 11.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -79.19 105.92 10.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.68 HG11 ' HE1' ' A' ' 22' ' ' PHE . 76.5 t -97.91 126.99 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -87.3 103.02 15.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.255 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.732 HG22 ' HB3' ' A' ' 59' ' ' TRP . 19.7 pt -80.96 -16.15 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.5 p -69.63 -13.46 62.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.8 mt -74.03 158.13 86.13 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -37.74 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -72.25 -18.72 61.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -108.53 7.0 26.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.369 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.6 t -46.43 -31.52 2.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.557 1.16 . . . . 0.0 109.982 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.6 m -62.49 -49.79 74.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.732 ' HB3' HG22 ' A' ' 51' ' ' ILE . 25.8 m95 -54.32 -32.56 56.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 107.969 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.637 ' CD2' HD12 ' A' ' 51' ' ' ILE . 38.0 t80 -80.16 -55.56 4.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 111.052 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -46.58 -30.27 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.576 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -90.4 -35.13 15.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.576 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 27.4 m-85 -130.83 70.56 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -104.44 -17.24 14.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -132.52 9.54 4.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.507 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -121.92 29.86 6.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.929 HD12 ' HG2' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -109.17 162.4 20.23 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.527 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.2 Cg_endo -75.05 149.16 93.29 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.974 0.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.567 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 64.6 t -106.27 153.77 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.762 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 94.6 m-85 -137.92 121.39 17.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.567 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 35.8 m170 -113.68 118.63 34.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 109.584 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.79 HD13 HD11 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -101.18 115.58 30.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.22 28.51 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.03 39.57 45.45 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.563 1.164 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.03 121.22 6.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 110.318 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.469 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.7 OUTLIER -39.11 111.29 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.708 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -93.74 -41.79 9.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.4 ' HE2' HD21 ' A' ' 77' ' ' LEU . 9.6 ptt? -176.25 148.26 0.77 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.509 ' SD ' ' NE2' ' A' ' 80' ' ' HIS . 2.4 ptt? -143.94 155.36 44.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.509 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 1.7 m170 87.52 9.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.612 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.438 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 3.6 mtt85 163.24 -167.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.243 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.762 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 82.4 t -135.69 83.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.9 m120 -75.9 80.31 2.8 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' ASN . 3.4 p -36.97 -53.28 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.07 -47.63 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.977 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER -66.5 -61.61 1.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.8 tp -42.45 -66.82 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -42.65 -53.17 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.66 -42.47 56.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 94' ' ' LEU . 69.3 mm-40 -67.86 -46.46 71.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.31 -35.49 75.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.9 -26.7 67.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.082 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 2.0 mmpt? -135.54 -84.59 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.79 HD11 HD13 ' A' ' 72' ' ' LEU . 2.9 mt 74.67 -53.97 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 61.6 p -51.17 123.04 8.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.965 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -125.07 157.75 19.38 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 58.65 4.98 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.798 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.9 t -58.52 137.41 57.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.6 t -137.22 93.87 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.966 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.87 119.35 38.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.948 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.73 168.64 10.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.47 -178.55 46.79 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 0.0 111.05 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.0 p -118.36 148.17 42.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 0.749 . . . . 0.0 109.996 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.09 91.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.027 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.6 80.36 0.33 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.451 1.095 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -151.02 168.02 25.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.267 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.4 tp -74.27 77.33 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 t -170.82 170.83 6.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.994 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -131.59 120.2 22.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.3 p -176.34 139.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -130.5 119.84 23.22 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -107.98 177.13 4.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -173.3 142.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.2 mt -87.46 157.32 53.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 162.09 37.79 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.2 t -103.67 124.77 58.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.664 HD11 HD23 ' A' ' 77' ' ' LEU . 7.2 tp -110.8 113.52 26.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 m -79.96 114.2 18.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.619 HD12 ' N ' ' A' ' 22' ' ' PHE . 2.2 tp -107.57 121.74 45.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.624 ' HE1' HG11 ' A' ' 49' ' ' VAL . 64.5 m-85 -111.48 99.22 8.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.463 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -111.75 172.33 6.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.517 ' HG2' HD12 ' A' ' 67' ' ' ILE . 1.4 pttt -159.39 -177.56 6.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.537 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -152.89 144.51 16.45 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.02 137.63 51.45 Favored 'Cis proline' 0 C--N 1.361 1.2 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.013 0.013 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -162.54 108.81 1.08 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 108.318 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -43.25 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 111.047 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.2 mt -50.82 -60.58 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 57.7 m -41.74 -66.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 108.354 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -41.32 -54.99 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.457 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.5 tt0 -54.39 -53.44 54.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.747 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -37.55 -59.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.51 ' CG ' HD21 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -45.96 -51.22 13.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -53.41 -28.65 30.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 32' ' ' GLU . 16.7 t -79.83 -20.97 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.588 HD11 ' CE2' ' A' ' 70' ' ' PHE . 15.1 mt -99.01 16.79 21.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.514 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 1.2 mt-30 -65.12 -50.86 58.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.06 0.92 8.35 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.467 1.772 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.51 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 75.8 m-85 -123.26 7.06 9.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.94 -32.48 73.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.32 -15.05 23.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.252 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.446 ' CG ' ' HA ' ' A' ' 40' ' ' TYR . 6.0 mmp_? -69.26 -9.15 51.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.553 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 3.7 p90 178.5 -179.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.2 mt -96.17 99.7 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.629 HD13 HD23 ' A' ' 19' ' ' LEU . 56.7 tp -71.67 111.32 6.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.13 102.89 15.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -83.47 98.89 9.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.264 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.624 HG11 ' HE1' ' A' ' 22' ' ' PHE . 87.8 t -92.54 132.48 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.14 103.39 15.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.787 HD12 ' CD2' ' A' ' 60' ' ' TYR . 13.9 pt -81.96 -14.96 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.461 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 73.5 p -69.67 -6.07 29.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.401 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.9 mt -86.09 158.18 55.94 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -37.81 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.464 1.771 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.55 -26.74 68.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -104.12 7.22 36.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.1 t -40.11 -34.62 0.31 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.556 ' CG2' ' NH2' ' A' ' 62' ' ' ARG . 1.2 m -62.24 -56.92 13.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 110.418 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.6 ' HB3' HG22 ' A' ' 51' ' ' ILE . 23.0 m95 -45.11 -36.97 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 107.984 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.787 ' CD2' HD12 ' A' ' 51' ' ' ILE . 27.7 t80 -79.6 -48.22 14.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.22 -17.48 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.568 ' HD2' ' CE2' ' A' ' 63' ' ' TYR . 1.7 ptp180 -105.58 -28.39 10.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.568 ' CE2' ' HD2' ' A' ' 62' ' ' ARG . 24.4 m-85 -136.46 74.64 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.577 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 0.9 OUTLIER -113.27 -10.31 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.419 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 1.0 OUTLIER -133.75 6.54 3.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.691 ' HB3' ' HE2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -106.7 -46.71 3.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.689 HD13 ' CD1' ' A' ' 51' ' ' ILE . 4.9 pt -35.6 156.53 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.4 Cg_endo -74.95 133.2 30.31 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.003 -0.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.572 HG22 ' HB2' ' A' ' 79' ' ' MET . 73.0 t -103.76 144.94 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.919 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 92.8 m-85 -127.59 125.1 39.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.564 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 41.9 m170 -115.95 121.66 42.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.596 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.986 ' CD1' HD11 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -109.1 120.28 42.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.482 ' OD1' HD13 ' A' ' 94' ' ' LEU . 1.3 m120 65.27 37.65 6.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.21 36.92 94.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -148.53 120.6 8.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 110.281 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.508 ' CG ' ' O ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -41.1 106.27 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.098 . . . . 0.0 111.005 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.664 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -84.26 -46.12 12.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -175.73 151.41 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.622 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 4.1 ptt? -147.81 162.64 38.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.691 ' HE2' ' HB3' ' A' ' 66' ' ' ASP . 5.5 m170 87.1 9.25 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.558 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.4 OUTLIER 161.98 -167.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.919 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 40.2 t -133.49 81.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.9 m120 -78.78 81.14 5.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 83' ' ' ASN . 1.4 p -36.69 -55.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.1 -44.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 110.0 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER -67.82 -62.29 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 86' ' ' LYS . 8.9 tp -39.45 -66.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -43.64 -54.95 4.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.94 -53.62 6.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 86' ' ' LYS . 3.2 mp0 -56.5 -54.14 49.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 91.6 mt -41.95 -59.18 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -37.63 -52.86 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -138.81 119.32 13.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.986 HD11 ' CD1' ' A' ' 72' ' ' LEU . 5.6 mt -126.65 -72.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.4 p 60.47 152.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.0 164.96 37.11 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.559 1.162 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 126.94 10.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.531 1.806 . . . . 0.0 111.03 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.2 p -56.65 158.04 4.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.1 t -66.43 -59.65 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 t 64.57 142.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 0.759 . . . . 0.0 109.966 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t 66.04 121.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 0.0 110.037 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.42 74.26 0.02 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.436 1.085 . . . . 0.0 111.043 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 p -175.02 102.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 110.05 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.9 -52.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.965 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.43 167.86 2.0 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.099 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -132.34 -179.29 5.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 0.761 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.726 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -160.15 151.04 18.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.6 p -146.2 165.49 29.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.98 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.6 172.51 11.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.9 m -134.71 123.53 23.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.99 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -179.42 132.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.84 158.89 15.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -163.45 140.17 7.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.5 mt -105.81 157.33 34.92 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 163.62 34.96 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.47 1.774 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.0 t -106.76 115.54 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.736 HD23 HD13 ' A' ' 46' ' ' LEU . 7.9 tp -100.66 112.21 24.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -79.6 109.6 14.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.64 HD23 ' HG3' ' A' ' 48' ' ' GLU . 5.7 tp -103.01 122.18 44.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.24 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.632 ' HE1' HG11 ' A' ' 49' ' ' VAL . 70.9 m-85 -110.38 99.52 8.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.481 HG21 ' HE3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -105.43 172.23 6.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.408 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.615 ' HG2' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -163.25 -176.52 4.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.529 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -156.7 144.25 13.93 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.03 135.55 41.03 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.0 0.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.411 ' N ' ' HA ' ' A' ' 25' ' ' ALA . 0.8 OUTLIER -161.78 109.53 1.18 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 108.305 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.95 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 30' ' ' CYS . 10.4 mp -58.09 -63.63 1.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 59.7 m -41.75 -41.4 2.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 108.283 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -65.23 -61.48 2.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.557 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -51.98 -48.21 64.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.339 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.776 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -37.79 -61.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.524 ' HG2' HD21 ' A' ' 21' ' ' LEU . 1.1 mttt -46.44 -50.59 16.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -54.76 -26.98 37.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 32' ' ' GLU . 18.0 t -82.91 -19.8 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.582 HD11 ' CE2' ' A' ' 70' ' ' PHE . 14.0 mt -99.55 2.39 44.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.481 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -51.18 -52.77 55.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.05 -0.6 10.19 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.415 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 96.6 m-85 -119.06 19.97 12.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 44' ' ' PHE . 78.4 mttt -77.91 -53.73 7.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -72.96 -12.9 61.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.541 ' CZ ' ' HA ' ' A' ' 43' ' ' ARG . 0.5 OUTLIER -67.44 -48.72 66.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.088 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.831 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.6 p90 -142.03 -174.66 4.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.6 mt -96.1 99.17 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.736 HD13 HD23 ' A' ' 19' ' ' LEU . 41.1 tp -75.54 107.61 7.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -93.76 98.22 10.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.64 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -78.81 105.37 10.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.632 HG11 ' HE1' ' A' ' 22' ' ' PHE . 89.3 t -96.79 130.69 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.465 ' HB2' HD12 ' A' ' 53' ' ' LEU . 2.5 m-20 -91.49 102.66 15.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.7 HD11 ' CD1' ' A' ' 67' ' ' ILE . 17.3 pt -80.0 -23.7 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 13.3 p -61.59 -13.66 23.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.385 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 50' ' ' ASP . 60.9 mt -76.25 158.41 81.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -44.58 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.07 -16.85 62.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -112.31 6.95 19.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.4 t -48.77 -23.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.9 m -69.49 -41.81 75.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.4 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.631 ' HB3' HG22 ' A' ' 51' ' ' ILE . 43.5 m95 -63.41 -30.72 71.81 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.662 ' CD2' HD12 ' A' ' 51' ' ' ILE . 36.4 t80 -82.98 -51.31 7.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -51.74 -20.31 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.527 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 12.8 ptm180 -102.01 -32.5 10.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.267 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.527 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 21.9 m-85 -133.5 74.71 1.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 1.1 pttt -112.83 -7.41 13.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -135.88 15.29 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.655 ' HB3' ' HE2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -114.87 -45.73 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.7 ' CD1' HD11 ' A' ' 51' ' ' ILE . 1.1 pt -35.53 155.64 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.98 131.6 24.76 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.038 -2.484 . . . . 0.0 111.008 -0.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.574 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 92.7 t -101.03 143.57 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.915 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 93.5 m-85 -127.61 121.99 31.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.574 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 42.8 m170 -115.25 119.37 36.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.63 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 1.011 HD13 HD11 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -106.23 120.65 42.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.606 ' OD1' HD13 ' A' ' 94' ' ' LEU . 3.8 m120 62.58 53.47 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 48.68 41.02 26.2 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -155.06 119.65 4.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.756 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.572 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -41.35 116.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.724 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -93.17 -43.04 9.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -178.52 151.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.62 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 4.0 ptt? -149.18 162.93 39.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.655 ' HE2' ' HB3' ' A' ' 66' ' ' ASP . 5.5 m170 87.77 10.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.601 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.459 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 161.58 -169.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.915 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 40.4 t -132.67 83.57 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 86' ' ' LYS . 4.6 m-20 -85.79 80.43 8.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 83' ' ' ASN . 32.5 p -36.24 -50.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.3 OUTLIER -38.54 -46.61 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -68.13 -59.58 3.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.508 HD21 ' HE2' ' A' ' 44' ' ' PHE . 9.6 tp -45.95 -65.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.65 -53.37 2.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -45.88 -54.04 8.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 91' ' ' LEU . 34.3 mm-40 -58.82 -54.77 43.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.831 HD21 ' HD2' ' A' ' 44' ' ' PHE . 20.6 mt -39.39 -59.53 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.9 mtp-105 -39.9 -59.13 1.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -130.4 121.89 26.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.011 HD11 HD13 ' A' ' 72' ' ' LEU . 5.4 mt -131.22 -64.01 0.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.44 144.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 175.21 -179.09 46.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 99' ' ' SER . 18.3 Cg_endo -75.02 -35.65 2.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.442 1.759 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.3 t 69.65 -65.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.981 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 97' ' ' PRO . 0.4 OUTLIER 58.42 96.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 110.009 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.71 100.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 0.729 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.72 152.83 22.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.41 -133.87 3.41 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 p -148.64 165.03 32.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.54 154.01 23.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.969 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.49 167.05 37.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -156.61 104.84 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.781 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -168.62 110.31 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.34 89.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.035 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.33 166.07 25.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -160.03 93.6 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.044 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -141.61 103.79 4.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.253 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.45 141.69 30.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.63 123.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.1 mt -90.1 157.36 45.63 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.098 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 154.18 42.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.449 1.763 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -98.52 110.25 25.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.749 HD11 HD23 ' A' ' 77' ' ' LEU . 7.1 tp -94.71 112.07 23.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -79.35 115.48 19.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 110.406 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.589 HD21 ' CG ' ' A' ' 34' ' ' LYS . 8.6 tp -111.14 122.87 49.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.792 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 83.5 m-85 -111.35 109.81 19.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -121.51 157.82 29.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.35 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.641 ' HD3' HD11 ' A' ' 67' ' ' ILE . 1.4 ptmt -147.14 120.32 8.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.508 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -87.68 137.94 31.78 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.02 164.62 87.97 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.959 0.023 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 24' ' ' LYS . 1.9 p -171.02 107.84 0.41 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 108.312 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -27.03 10.44 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.454 1.765 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.446 ' C ' ' N ' ' A' ' 31' ' ' ASP . 16.2 mt -85.74 -66.3 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 57.1 m -43.34 -28.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 108.291 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.446 ' N ' ' C ' ' A' ' 29' ' ' LEU . 2.0 t0 -71.59 -50.72 28.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.669 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -68.13 -43.57 78.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.671 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -40.96 -59.26 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.589 ' CG ' HD21 ' A' ' 21' ' ' LEU . 3.8 mtpm? -46.76 -51.11 17.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -54.73 -25.57 28.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 32' ' ' GLU . 11.3 t -82.1 -18.49 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.582 HD11 ' CE1' ' A' ' 70' ' ' PHE . 15.0 mt -100.69 -1.12 36.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -49.8 -51.96 55.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.4 Cg_endo -74.96 0.11 9.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.467 1.772 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.449 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 97.7 m-85 -118.71 13.43 13.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 44' ' ' PHE . 2.0 mtpt -69.59 -50.84 40.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.16 -8.01 56.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -73.79 -36.04 64.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.841 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.4 p90 -156.32 -175.64 5.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.9 mt -96.14 99.64 9.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.645 HD13 HD23 ' A' ' 19' ' ' LEU . 42.5 tp -75.76 106.99 7.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -93.62 98.16 10.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.243 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.556 ' HG3' HD23 ' A' ' 21' ' ' LEU . 1.1 mt-10 -79.62 105.39 10.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.709 HG11 ' HE1' ' A' ' 22' ' ' PHE . 96.1 t -93.42 142.85 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.44 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -102.83 102.92 13.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.714 HG22 ' HB3' ' A' ' 59' ' ' TRP . 24.6 pt -79.91 -17.49 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 36.1 p -69.49 -7.14 35.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.7 mt -82.6 160.04 62.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -39.86 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -74.22 -12.24 60.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 93.7 m-20 -113.41 7.18 17.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.3 t -51.91 -20.78 2.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 m -74.07 -36.9 64.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.393 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.792 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 74.7 m95 -70.13 -12.97 61.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 107.995 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.597 ' CD2' HD12 ' A' ' 51' ' ' ILE . 32.4 t80 -95.0 -57.18 2.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.72 -20.28 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.256 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.569 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 11.0 ptm180 -97.17 -32.04 12.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.569 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 23.4 m-85 -136.58 69.98 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.7 OUTLIER -106.18 -13.81 15.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -140.35 12.28 2.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.442 ' HB3' ' NE2' ' A' ' 80' ' ' HIS . 0.7 OUTLIER -123.45 27.7 7.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.641 HD11 ' HD3' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -103.47 163.92 16.48 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.584 ' HA ' HG22 ' A' ' 67' ' ' ILE . 18.2 Cg_endo -75.04 151.93 97.5 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.975 0.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.563 HG21 ' CG ' ' A' ' 63' ' ' TYR . 57.6 t -107.3 149.17 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.966 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 97.7 m-85 -137.37 118.05 14.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 36.0 m170 -112.4 118.76 36.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.593 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.929 HD13 HD22 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -105.27 115.44 30.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.53 29.37 3.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.31 37.5 63.07 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.075 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 76' ' ' PHE . 2.0 mt-30 -149.13 116.0 5.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 0.73 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.558 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -36.45 104.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 111.032 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.749 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -82.67 -42.1 18.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.499 ' HE2' HD21 ' A' ' 77' ' ' LEU . 9.3 ptt? -177.71 150.16 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.539 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 3.3 ptt? -144.74 160.47 41.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.539 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 4.1 m170 87.85 9.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.622 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 158.47 -169.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.966 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 10.3 t -128.46 87.87 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 84' ' ' THR . 29.9 m-20 -82.38 78.39 9.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.087 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 83' ' ' ASN . 78.0 p -36.61 -50.79 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.425 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.1 m -40.38 -49.59 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -65.94 -57.67 7.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.423 HD11 ' CE2' ' A' ' 44' ' ' PHE . 13.2 tp -46.93 -64.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -43.77 -54.9 4.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -46.97 38.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 91' ' ' LEU . 38.9 mm-40 -62.81 -57.73 9.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.841 HD21 ' HD2' ' A' ' 44' ' ' PHE . 18.9 mt -38.85 -59.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -38.59 -58.66 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 110.314 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -106.17 91.59 3.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.929 HD22 HD13 ' A' ' 72' ' ' LEU . 11.0 tp -168.06 -59.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.1 m -155.65 87.69 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.961 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -141.95 -144.75 4.41 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 156.05 42.95 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.2 t -132.73 -55.95 0.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.1 t -151.12 134.44 16.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.967 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 110.982 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.0 t -167.59 151.43 6.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.016 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.33 170.3 4.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 110.004 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.98 156.09 26.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.05 139.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 0.736 . . . . 0.0 109.965 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -121.93 124.78 44.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.6 134.4 4.61 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -170.36 105.55 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.5 tp -79.94 148.19 31.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.4 m -120.2 143.43 48.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -174.87 159.5 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.4 p -168.34 118.26 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -119.22 164.33 15.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.17 138.29 21.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.252 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 63.87 138.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.5 mt -108.72 157.8 35.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.553 ' HG3' HD23 ' A' ' 94' ' ' LEU . 18.1 Cg_endo -75.06 157.95 42.23 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.557 1.82 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.1 t -100.64 112.29 32.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.896 HD23 HD13 ' A' ' 46' ' ' LEU . 6.1 tp -95.91 112.95 24.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -79.97 118.51 21.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.41 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.677 HD23 ' HG3' ' A' ' 48' ' ' GLU . 5.1 tp -113.38 123.85 51.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.647 ' CE1' HG11 ' A' ' 49' ' ' VAL . 66.3 m-85 -111.41 106.79 15.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.09 160.83 21.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.444 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.564 ' HD3' HD11 ' A' ' 67' ' ' ILE . 0.6 OUTLIER -152.72 120.17 5.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.522 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -86.04 137.67 35.2 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.99 163.32 90.98 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.016 -0.034 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.527 ' HB3' ' O ' ' A' ' 24' ' ' LYS . 2.7 p -172.48 109.79 0.36 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 108.328 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -38.03 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.783 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.497 ' N ' HD12 ' A' ' 29' ' ' LEU . 5.3 mp -74.6 -65.81 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.414 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 37.5 m -41.41 -30.03 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 108.29 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.442 ' N ' ' C ' ' A' ' 29' ' ' LEU . 4.7 m-20 -72.69 -53.36 11.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.704 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -65.14 -41.23 94.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.267 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.737 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -43.2 -59.23 2.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.49 ' CG ' HD21 ' A' ' 21' ' ' LEU . 4.9 mtpm? -46.35 -50.11 16.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -55.4 -28.94 57.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 32' ' ' GLU . 8.9 t -79.53 -17.28 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.559 HD11 ' CE2' ' A' ' 70' ' ' PHE . 16.0 mt -103.23 -6.93 21.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.512 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -46.91 -50.96 42.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.2 Cg_endo -75.06 2.77 6.29 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.571 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 97.1 m-85 -121.91 6.83 9.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -60.5 -41.4 94.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.83 -14.55 44.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -70.27 -20.5 63.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.749 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.9 p90 -172.71 177.48 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.06 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.6 mt -92.6 100.73 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.896 HD13 HD23 ' A' ' 19' ' ' LEU . 39.3 tp -76.58 108.53 9.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -93.57 98.22 11.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.677 ' HG3' HD23 ' A' ' 21' ' ' LEU . 2.1 mt-10 -80.25 106.41 12.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.647 HG11 ' CE1' ' A' ' 22' ' ' PHE . 76.4 t -93.93 143.27 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.92 102.39 12.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.699 HG22 ' HB3' ' A' ' 59' ' ' TRP . 21.5 pt -76.98 -24.04 15.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.8 p -60.33 -14.03 16.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.398 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.2 mt -74.63 153.18 87.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -32.71 5.14 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -75.79 -11.3 59.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' SER . 96.5 m-20 -114.38 7.35 16.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.1 OUTLIER -39.54 -40.79 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -56.6 -53.11 61.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.359 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.699 ' HB3' HG22 ' A' ' 51' ' ' ILE . 24.9 m95 -47.81 -39.27 17.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.167 . . . . 0.0 108.006 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.616 ' CD2' HD12 ' A' ' 51' ' ' ILE . 8.0 t80 -77.07 -49.36 15.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.43 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 2.7 mt-10 -56.56 -16.6 6.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.328 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.654 ' NH1' ' CZ3' ' A' ' 59' ' ' TRP . 6.0 ptp180 -105.57 -28.45 10.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.227 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.568 ' CE2' ' HD2' ' A' ' 62' ' ' ARG . 19.1 m-85 -136.74 74.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.059 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.587 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -110.82 -18.32 13.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -134.76 10.46 3.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.517 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -120.62 29.61 7.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.564 HD11 ' HD3' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -108.41 162.16 20.92 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.526 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.5 Cg_endo -74.94 149.67 94.22 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.011 -0.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.578 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 73.6 t -107.46 152.83 8.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.969 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 96.9 m-85 -138.37 124.15 19.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.578 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 31.4 m170 -115.71 118.11 32.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.581 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.888 HD22 HD21 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -104.5 111.39 24.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 73.21 28.87 1.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.97 40.61 56.81 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -151.92 119.8 6.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 0.746 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.429 ' O ' ' CG ' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -39.55 102.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.598 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -83.23 -42.93 16.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.591 ' HE2' HD21 ' A' ' 77' ' ' LEU . 8.8 ptt? -176.71 149.48 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.523 ' SD ' ' NE2' ' A' ' 80' ' ' HIS . 3.1 ptt? -144.79 158.17 43.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.523 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 3.4 m170 87.93 9.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.573 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 162.69 -170.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.969 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 21.3 t -129.61 84.14 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -75.4 77.65 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.8 p -38.08 -53.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.7 m -40.28 -52.72 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.977 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -61.76 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.5 tp -40.12 -68.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.448 ' HA ' HD12 ' A' ' 91' ' ' LEU . 1.8 mt-10 -42.85 -54.28 4.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.298 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.39 -48.31 7.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 91' ' ' LEU . 16.8 mm100 -65.99 -52.6 47.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.749 HD21 ' HD2' ' A' ' 44' ' ' PHE . 27.9 mt -37.56 -60.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 60.1 mtt-85 -40.86 -62.79 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.6 90.24 4.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.888 HD21 HD22 ' A' ' 72' ' ' LEU . 11.3 tp -161.64 -64.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.46 151.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.043 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -50.93 -177.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 59.65 5.25 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.53 1.805 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 56.7 m -152.83 77.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.013 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.23 -58.65 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t 179.54 114.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.6 t -161.14 141.98 11.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.72 139.92 3.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 m -170.42 118.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 109.988 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 m -143.39 149.92 38.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.958 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.11 -168.93 20.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.6 t30 178.23 142.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -165.13 167.84 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.3 m 57.13 166.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -123.51 156.57 35.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.1 p -105.33 124.37 49.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.162 . . . . 0.0 110.063 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -107.89 162.04 14.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.26 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.43 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 2.5 mtp180 -158.54 134.75 9.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 14' ' ' ARG . . . 68.69 123.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 42' ' ' ASP . 28.2 mt -100.54 157.07 34.43 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 163.21 35.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 84.4 t -106.22 113.77 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.741 HD11 HD23 ' A' ' 77' ' ' LEU . 5.7 tp -99.79 112.19 24.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -77.98 124.15 27.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.601 ' HB2' HD11 ' A' ' 46' ' ' LEU . 4.2 tp -117.54 122.25 43.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.813 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 81.0 m-85 -112.43 104.86 13.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.526 HG21 ' HE2' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -114.79 168.89 9.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.372 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.529 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 3.9 pttt -159.68 121.38 3.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.53 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -88.02 138.43 30.95 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -74.96 165.23 86.46 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.967 -0.023 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 24' ' ' LYS . 3.8 p -173.78 104.17 0.3 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 108.32 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -24.02 13.23 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' GLU . 16.9 mt -86.04 -65.12 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.0 m -44.88 -37.13 3.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 108.248 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -63.6 -46.2 86.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -71.41 -46.63 59.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.732 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -37.38 -58.31 0.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.534 ' CG ' HD21 ' A' ' 21' ' ' LEU . 10.2 mttt -46.51 -50.19 17.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 32' ' ' GLU . 10.2 mt-10 -55.17 -27.76 48.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 32' ' ' GLU . 16.2 t -80.05 -18.3 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' A' ' 70' ' ' PHE . 16.7 mt -102.04 14.49 31.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.515 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 1.3 mt-30 -64.85 -50.94 60.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.03 2.1 7.02 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.471 ' HA ' ' CG ' ' A' ' 43' ' ' ARG . 85.7 m-85 -122.35 1.13 9.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -30.51 64.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.351 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.514 ' O ' HD13 ' A' ' 16' ' ' LEU . 10.4 t0 -94.4 -18.47 21.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.471 ' CG ' ' HA ' ' A' ' 40' ' ' TYR . 6.1 mmp_? -67.77 -11.54 58.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.722 ' HD2' HD21 ' A' ' 91' ' ' LEU . 3.0 p90 179.23 174.72 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.9 mt -92.25 100.11 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.643 HD13 HD23 ' A' ' 19' ' ' LEU . 58.4 tp -71.92 111.43 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.467 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.69 103.25 15.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 110.288 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.532 ' HG3' HD23 ' A' ' 21' ' ' LEU . 1.5 mt-10 -83.23 100.11 10.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.657 HG11 ' HE1' ' A' ' 22' ' ' PHE . 91.5 t -93.88 137.28 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -97.64 102.85 14.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.593 HD12 ' CD2' ' A' ' 60' ' ' TYR . 15.4 pt -78.11 -19.65 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 15.7 p -65.8 -9.49 28.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.362 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.0 mt -80.77 160.41 66.7 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -42.42 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.444 1.76 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.83 -24.85 65.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -101.29 7.49 42.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.5 t -50.67 -21.75 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -70.64 -46.64 62.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.381 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.813 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 80.6 m95 -63.57 -15.98 59.57 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.593 ' CD2' HD12 ' A' ' 51' ' ' ILE . 39.1 t80 -92.17 -56.86 2.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 34.5 mt-10 -51.76 -19.88 1.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.569 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 10.2 ptm180 -96.87 -35.57 10.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.569 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 22.4 m-85 -131.34 67.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.425 ' NZ ' ' HA ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -100.55 -14.98 17.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -139.85 11.7 2.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.519 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -121.95 34.07 5.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.543 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -109.0 162.77 18.8 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.543 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.96 150.4 95.4 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.996 -0.026 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.53 HG21 ' CG ' ' A' ' 63' ' ' TYR . 66.2 t -108.73 150.01 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.251 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.971 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 96.7 m-85 -137.49 117.79 13.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.148 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.521 ' CE1' ' CG1' ' A' ' 69' ' ' VAL . 1.0 OUTLIER -110.24 119.74 40.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.584 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.784 HD13 ' CD2' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -105.09 118.2 35.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.8 m120 62.61 54.49 2.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 49.76 41.25 35.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -156.08 120.72 4.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 110.318 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -42.81 119.83 1.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.741 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -96.95 -44.65 6.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.606 ' HE2' HD21 ' A' ' 77' ' ' LEU . 7.8 ptt? -174.32 149.41 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.491 ' O ' ' CB ' ' A' ' 80' ' ' HIS . 2.3 ptt? -143.36 158.51 43.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.491 ' CB ' ' O ' ' A' ' 79' ' ' MET . 2.3 m170 87.97 10.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.614 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 3.2 mtt85 160.25 -169.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.342 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.971 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 15.8 t -129.68 80.46 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' THR . 23.9 m120 -74.04 77.92 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ASN . 80.5 p -37.8 -51.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.4 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.35 -47.37 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.991 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.36 -59.46 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.7 tp -42.12 -66.39 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -45.92 -52.54 11.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.27 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -50.3 -38.72 42.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 91' ' ' LEU . 69.6 mm-40 -72.78 -55.8 6.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.075 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.722 HD21 ' HD2' ' A' ' 44' ' ' PHE . 17.9 mt -39.7 -60.88 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -39.26 -62.12 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.94 99.88 10.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.784 ' CD2' HD13 ' A' ' 72' ' ' LEU . 7.9 tp -171.02 -67.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 41.63 80.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.04 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.401 ' HA2' ' HD3' ' A' ' 97' ' ' PRO . . . -52.95 142.12 27.76 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.114 . . . . 0.0 111.049 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.401 ' HD3' ' HA2' ' A' ' 96' ' ' GLY . 18.4 Cg_endo -74.95 75.44 3.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 44.59 90.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.06 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 73.8 m 64.62 83.39 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.981 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.485 1.115 . . . . 0.0 111.03 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 p -152.25 80.62 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 0.803 . . . . 0.0 109.955 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.61 90.54 5.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.59 87.57 1.0 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -140.91 103.94 4.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.004 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 p -175.06 146.69 0.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.981 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.14 68.29 0.15 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' SER . 1.0 OUTLIER 55.5 103.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mt 68.2 -69.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 8' ' ' ASN . 21.3 t 65.77 95.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.032 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 13' ' ' ASN . . . -178.54 79.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 m 63.86 -77.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' ALA . 75.7 m-20 -40.98 143.04 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.94 99.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.253 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 63.3 119.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.6 mt -89.56 157.31 47.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.454 ' HB2' ' CD2' ' A' ' 72' ' ' LEU . 18.4 Cg_endo -74.98 169.59 22.29 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.453 1.765 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -111.47 109.88 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.819 HD23 ' CD1' ' A' ' 46' ' ' LEU . 7.0 tp -93.86 110.07 21.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.1 m -81.26 101.07 9.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.352 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.586 ' HB2' HD11 ' A' ' 46' ' ' LEU . 3.5 tp -93.22 118.33 31.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.592 ' HE1' HG11 ' A' ' 49' ' ' VAL . 70.7 m-85 -105.48 100.94 10.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -117.76 173.53 6.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.437 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.521 ' HG2' HD12 ' A' ' 67' ' ' ILE . 1.9 ptmt -151.39 -174.04 4.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.467 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -142.04 131.16 12.19 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.467 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -74.99 165.61 85.49 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.025 -2.489 . . . . 0.0 110.967 0.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 24' ' ' LYS . 28.5 p -152.89 98.94 2.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 108.284 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -31.75 5.97 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.542 ' N ' ' CD1' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -81.44 -65.41 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 29' ' ' LEU . 35.2 m -41.26 -42.73 2.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 108.333 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.4 -49.5 34.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.519 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -75.9 -48.29 21.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.553 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -37.94 -58.83 0.89 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -46.25 -51.52 14.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -54.03 -27.27 31.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 32' ' ' GLU . 14.3 t -79.59 -17.96 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.567 HD11 ' CE2' ' A' ' 70' ' ' PHE . 12.0 mt -100.73 14.06 32.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.503 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 1.4 mt-30 -62.78 -50.98 75.1 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -74.99 -4.69 15.78 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.503 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 88.6 m-85 -117.81 14.74 14.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -31.03 68.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -99.83 -14.12 18.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.479 ' CG ' ' HA ' ' A' ' 40' ' ' TYR . 5.4 mmp_? -65.89 -21.73 66.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.742 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.6 p90 -168.09 -179.23 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.4 mt -95.04 99.55 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.819 ' CD1' HD23 ' A' ' 19' ' ' LEU . 36.4 tp -75.47 106.03 6.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' LEU . 10.5 tt0 -93.8 98.52 11.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -78.56 101.27 7.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.592 HG11 ' HE1' ' A' ' 22' ' ' PHE . 82.6 t -89.61 138.9 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.413 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 37.1 m-20 -96.24 103.28 15.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.754 HD11 ' CD1' ' A' ' 67' ' ' ILE . 14.7 pt -83.84 -11.01 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 60.4 p -75.78 -6.29 49.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.41 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.3 mt -83.47 159.86 60.55 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.89 2.31 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.483 1.78 . . . . 0.0 111.033 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -72.63 -22.31 60.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 88.8 m-20 -105.93 0.39 25.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.5 t -44.72 -27.27 0.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.1 m -64.48 -45.46 87.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.6 ' HB3' HG22 ' A' ' 51' ' ' ILE . 52.9 m95 -61.44 -27.5 68.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 107.999 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.656 ' CD2' HD12 ' A' ' 51' ' ' ILE . 38.4 t80 -83.51 -53.61 5.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -50.78 -21.16 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.569 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 9.8 ptm180 -100.33 -33.37 10.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.569 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 23.1 m-85 -134.79 75.05 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 2.6 pttt -113.14 -7.6 13.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.415 ' CD2' ' HG3' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -135.63 12.36 3.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -112.18 -43.59 3.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.754 ' CD1' HD11 ' A' ' 51' ' ' ILE . 1.0 OUTLIER -35.94 155.15 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.4 Cg_endo -74.91 131.31 23.75 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.968 -2.513 . . . . 0.0 111.029 -0.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.599 HG12 ' CD2' ' A' ' 71' ' ' HIS . 92.5 t -103.32 123.43 56.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.876 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 93.5 m-85 -104.74 122.73 46.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.599 ' CD2' HG12 ' A' ' 69' ' ' VAL . 43.9 m170 -115.48 120.72 40.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.614 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.917 HD13 HD22 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -109.27 117.16 33.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 m120 65.34 45.21 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.64 31.56 57.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -141.83 112.11 6.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.585 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -36.35 109.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.651 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -85.52 -44.75 12.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.1 ptt? -178.69 152.22 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.593 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 4.3 ptt? -149.31 160.67 43.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.593 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 5.1 m170 87.36 9.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.613 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.1 OUTLIER 163.68 -175.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.876 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 34.2 t -128.65 79.99 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.9 OUTLIER -80.57 81.97 6.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.261 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 85' ' ' SER . 18.0 p -37.42 -55.2 1.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.394 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.2 OUTLIER -36.11 -38.75 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.983 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -76.22 -60.99 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.469 HD11 HD11 ' A' ' 91' ' ' LEU . 5.5 tp -42.6 -64.54 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.546 ' HA ' HD12 ' A' ' 91' ' ' LEU . 3.6 mt-10 -43.55 -57.23 3.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.09 -55.64 5.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 91' ' ' LEU . 1.7 mp0 -53.27 -56.91 12.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.742 HD21 ' HD2' ' A' ' 44' ' ' PHE . 14.0 mt -38.15 -61.49 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 91' ' ' LEU . 11.4 mtt85 -38.01 -61.95 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.453 ' O ' ' CG ' ' A' ' 93' ' ' LYS . 0.9 OUTLIER -96.88 83.71 3.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.917 HD22 HD13 ' A' ' 72' ' ' LEU . 5.4 tp -162.48 -62.06 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.5 m -42.38 141.38 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -166.42 156.99 29.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -43.84 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.1 p -166.09 125.83 1.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 110.013 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.46 163.81 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.979 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 -179.98 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.41 145.97 29.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 0.779 . . . . 0.0 110.0 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.2 m -97.84 161.19 13.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.051 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.09 179.61 16.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.86 160.1 40.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 0.748 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.14 165.87 34.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.68 165.27 16.51 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -160.31 144.82 14.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 0.719 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.1 mp -114.4 173.31 6.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.14 131.16 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -140.26 136.11 32.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.65 166.98 23.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -159.14 139.79 12.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.09 169.24 17.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 64.04 122.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 42' ' ' ASP . 63.5 mt -93.29 156.91 39.61 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 162.09 37.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.539 1.81 . . . . 0.0 110.947 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.5 t -104.56 122.25 57.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.754 HD11 HD23 ' A' ' 77' ' ' LEU . 7.2 tp -109.17 114.72 28.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -78.75 126.75 31.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.405 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.627 HD12 ' N ' ' A' ' 22' ' ' PHE . 2.4 tp -121.43 122.95 40.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.627 ' N ' HD12 ' A' ' 21' ' ' LEU . 78.3 m-85 -110.64 104.13 12.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.478 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 1.6 t -119.47 151.26 38.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.381 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.637 ' HD3' HD11 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -144.35 120.45 10.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.518 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -86.27 138.17 34.49 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.99 163.27 91.1 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.024 -0.05 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 24' ' ' LYS . 1.8 p -170.97 111.87 0.42 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 108.319 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -33.24 4.77 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.449 ' C ' ' N ' ' A' ' 31' ' ' ASP . 3.9 mm? -82.1 -68.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 35.2 m -41.03 -29.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 108.303 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.449 ' N ' ' C ' ' A' ' 29' ' ' LEU . 5.6 t70 -73.4 -57.06 4.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.573 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -63.45 -44.8 93.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.627 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -39.19 -59.62 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.564 ' CG ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -45.4 -52.0 10.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -53.73 -28.47 34.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 32' ' ' GLU . 13.9 t -78.75 -19.82 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.55 HD11 ' CE2' ' A' ' 70' ' ' PHE . 13.2 mt -99.08 18.32 17.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.509 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 1.2 mt-30 -67.03 -51.24 37.87 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -74.98 -0.46 9.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.555 1.818 . . . . 0.0 111.035 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.407 ' CE2' ' HG2' ' A' ' 39' ' ' PRO . 81.9 m-85 -120.69 6.92 10.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -34.69 78.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.501 ' O ' HD13 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -90.91 -18.18 25.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.428 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 12.4 mmp_? -65.87 -14.79 62.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.713 ' HD2' HD21 ' A' ' 91' ' ' LEU . 2.1 p90 -178.55 175.96 1.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.4 mt -92.68 99.78 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.641 HD13 HD23 ' A' ' 19' ' ' LEU . 55.3 tp -71.57 112.6 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.38 102.93 15.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.422 ' HG3' HD23 ' A' ' 21' ' ' LEU . 5.2 mt-10 -84.19 99.76 10.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.0 t -90.96 144.12 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.11 102.87 12.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.673 HG22 ' HB3' ' A' ' 59' ' ' TRP . 18.5 pt -77.67 -24.65 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 11.8 p -60.58 -14.19 18.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.3 mt -76.0 159.44 80.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -47.2 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.427 1.751 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -59.52 -24.29 63.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -103.86 7.08 36.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.0 t -42.63 -31.01 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.975 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.2 m -67.99 -50.69 54.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.376 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.673 ' HB3' HG22 ' A' ' 51' ' ' ILE . 21.6 m95 -49.14 -31.99 9.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 107.972 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.603 ' CD2' HD12 ' A' ' 51' ' ' ILE . 18.6 t80 -82.85 -50.93 8.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.432 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 4.6 mt-10 -53.49 -18.41 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.635 ' NH1' ' CZ3' ' A' ' 59' ' ' TRP . 9.6 ptp180 -103.26 -31.61 9.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.578 ' CE2' ' HD2' ' A' ' 62' ' ' ARG . 23.5 m-85 -134.3 74.4 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.586 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -110.68 -13.92 14.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.476 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 2.5 p90 -139.26 10.81 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.517 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -121.66 31.37 6.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.348 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.637 HD11 ' HD3' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -108.88 162.93 18.23 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.351 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -75.02 150.12 94.9 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.995 0.025 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.571 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 71.7 t -108.43 151.86 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.992 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 97.1 m-85 -137.76 123.13 19.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.571 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 35.1 m170 -114.79 122.23 45.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.606 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.924 HD13 HD22 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -107.35 113.58 27.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 66.54 54.42 0.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 50.33 41.35 39.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -156.26 121.84 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 110.299 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.496 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -43.99 120.83 2.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.989 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.754 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -98.25 -42.63 7.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.552 ' HE2' HD21 ' A' ' 77' ' ' LEU . 8.3 ptt? -176.46 150.2 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.503 ' SD ' ' NE2' ' A' ' 80' ' ' HIS . 2.1 ptt? -144.72 159.1 43.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.939 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.503 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 2.5 m170 88.19 9.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.584 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 4.6 mtt-85 160.46 -170.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.992 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 86.8 t -127.27 83.19 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 84' ' ' THR . 25.5 m120 -73.99 74.73 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 83' ' ' ASN . 41.5 p -36.15 -55.52 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.378 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.3 OUTLIER -38.65 -47.47 1.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.041 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -66.58 -60.98 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.4 tp -42.19 -66.06 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -44.55 -54.99 5.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.03 -41.93 17.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 91' ' ' LEU . 37.8 mm-40 -69.27 -57.89 4.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.713 HD21 ' HD2' ' A' ' 44' ' ' PHE . 17.0 mt -37.8 -57.56 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -43.06 -56.8 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -109.18 93.38 4.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.924 HD22 HD13 ' A' ' 72' ' ' LEU . 12.8 tp -170.06 -61.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.69 158.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.055 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.75 -157.19 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -45.35 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.77 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.35 162.32 24.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.46 -57.7 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.469 1.105 . . . . 0.0 111.039 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -133.84 83.89 2.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 0.802 . . . . 0.0 110.036 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.56 165.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.984 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.44 118.05 0.83 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.3 p -135.64 168.25 19.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 109.993 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.85 160.32 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.52 -173.87 13.19 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.69 166.1 9.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 0.798 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.57 154.76 27.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.71 153.32 45.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.959 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -114.43 -59.03 2.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t 52.83 86.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -132.51 154.86 49.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.427 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 23.1 mtt180 -150.56 132.56 15.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 14' ' ' ARG . . . 68.14 122.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.7 mt -96.19 157.11 36.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 164.03 34.11 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -107.06 114.72 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.761 HD11 HD23 ' A' ' 77' ' ' LEU . 7.0 tp -102.81 113.87 27.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 m -77.64 125.94 30.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.642 ' HB2' HD11 ' A' ' 46' ' ' LEU . 1.7 tp -118.26 119.52 34.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.611 ' N ' HD12 ' A' ' 21' ' ' LEU . 69.4 m-85 -109.1 100.59 9.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.462 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -112.39 173.54 6.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.703 ' HB2' HG22 ' A' ' 52' ' ' THR . 0.0 OUTLIER -162.78 -176.91 5.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.532 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -153.22 144.44 16.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.98 137.88 52.89 Favored 'Cis proline' 0 C--N 1.359 1.108 0 C-N-CA 121.057 -2.476 . . . . 0.0 110.966 0.028 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -165.74 107.59 0.74 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 108.29 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -44.03 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.537 1.809 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.1 mt -46.43 -62.83 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.447 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 71.1 m -42.76 -61.06 1.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 108.314 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -44.77 -54.46 6.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -57.06 -54.24 49.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.339 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.758 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -36.61 -57.32 0.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.527 ' CG ' HD21 ' A' ' 21' ' ' LEU . 9.6 mtpt -46.8 -50.61 18.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' GLU . 9.2 mt-10 -54.23 -26.2 27.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 33' ' ' ALA . 12.1 t -82.7 -17.47 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.603 HD11 ' CE2' ' A' ' 70' ' ' PHE . 15.5 mt -102.4 0.31 33.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.49 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -50.33 -52.3 55.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.2 Cg_endo -74.98 0.6 8.7 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.511 1.795 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.403 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 98.0 m-85 -119.3 14.22 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 44' ' ' PHE . 14.1 mttt -70.85 -46.66 62.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.8 -9.66 59.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -72.81 -29.18 63.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.803 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.5 p90 -164.28 -179.28 5.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.2 mt -94.05 97.73 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.642 HD11 ' HB2' ' A' ' 21' ' ' LEU . 50.2 tp -72.01 111.7 7.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.65 102.79 15.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.117 . . . . 0.0 110.31 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -82.91 99.55 9.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.57 HG11 ' HE1' ' A' ' 22' ' ' PHE . 83.9 t -93.27 134.18 31.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.345 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.27 103.27 15.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.855 HD12 ' CD2' ' A' ' 60' ' ' TYR . 11.5 pt -80.8 -18.82 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.703 HG22 ' HB2' ' A' ' 24' ' ' LYS . 34.4 p -64.2 -11.77 34.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.1 mt -81.28 158.99 68.66 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -45.11 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.799 . . . . 0.0 111.003 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -63.6 -21.68 66.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -105.67 -0.02 25.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 60' ' ' TYR . 40.9 t -40.17 -47.78 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.027 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.0 m -44.45 -48.74 10.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.656 ' HB3' HG22 ' A' ' 51' ' ' ILE . 54.2 m95 -55.93 -39.44 71.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.855 ' CD2' HD12 ' A' ' 51' ' ' ILE . 21.1 t80 -74.14 -52.8 11.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -51.12 -25.0 4.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.551 ' NE ' ' CE2' ' A' ' 63' ' ' TYR . 8.1 ptm180 -97.61 -28.18 14.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.327 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.551 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 23.4 m-85 -137.14 72.67 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 0.4 OUTLIER -109.84 -15.36 14.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.41 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 1.5 p90 -130.18 6.46 4.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.58 1.175 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.48 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -105.45 -46.38 4.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.701 HD13 ' CD1' ' A' ' 51' ' ' ILE . 5.0 pt -35.77 155.47 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.5 Cg_endo -74.96 133.56 31.94 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.036 -0.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.565 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 77.3 t -103.66 136.8 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.887 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 95.7 m-85 -119.73 123.94 44.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.565 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 45.5 m170 -115.48 123.14 47.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.597 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.829 HD13 ' CD2' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -109.29 116.91 32.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.88 52.72 2.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 50.79 41.32 43.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.96 118.53 4.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 110.353 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.565 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -42.41 110.86 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.022 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.761 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -86.8 -44.8 11.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -177.11 152.21 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.615 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 4.2 ptt? -148.88 160.54 43.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.615 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 5.6 m170 87.37 8.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.615 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 3.2 ptp180 163.69 -174.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.887 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 48.2 t -130.46 80.14 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 84' ' ' THR . 5.7 m-20 -81.26 83.37 6.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 85' ' ' SER . 19.4 p -37.99 -54.24 1.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.1 OUTLIER -36.45 -41.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 109.99 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -59.63 2.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.1 tp -47.68 -60.96 2.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -44.4 -55.19 5.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.0 -51.22 24.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 91' ' ' LEU . 33.5 mm-40 -58.31 -59.98 4.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.803 HD21 ' HD2' ' A' ' 44' ' ' PHE . 18.0 mt -38.96 -58.96 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -39.87 -59.39 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -103.91 93.08 4.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.829 ' CD2' HD13 ' A' ' 72' ' ' LEU . 8.4 tp -171.34 -63.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.88 158.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.032 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -60.6 176.91 3.93 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -39.07 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.41 81.85 8.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.031 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.93 86.74 2.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.959 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 110.961 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.452 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER 163.56 -81.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.972 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.9 p -76.83 -58.7 3.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.028 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.58 -117.92 0.86 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.3 t 57.49 97.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.95 164.39 18.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.99 139.73 6.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -91.79 137.79 32.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 0.743 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.08 111.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.5 168.37 3.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -111.79 162.26 15.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.4 p -99.84 168.25 10.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.046 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -41.56 152.28 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -178.43 142.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.83 128.61 16.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.0 mt -87.35 157.15 53.57 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 162.97 36.17 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.463 1.77 . . . . 0.0 111.019 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.4 t -105.97 111.58 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.678 HD11 HD23 ' A' ' 77' ' ' LEU . 5.5 tp -98.73 109.18 21.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.8 m -78.13 113.14 15.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.565 HD23 ' HG3' ' A' ' 48' ' ' GLU . 5.4 tp -104.81 122.78 46.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.618 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 65.8 m-85 -106.19 99.64 9.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -105.97 171.14 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.438 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.704 ' HG2' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -167.46 -176.6 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.541 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -153.0 143.6 15.68 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.92 143.58 78.27 Favored 'Cis proline' 0 C--N 1.359 1.114 0 C-N-CA 121.05 -2.479 . . . . 0.0 111.038 -0.066 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -171.09 100.3 0.41 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 108.322 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -15.06 20.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.479 1.779 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.529 ' N ' HD12 ' A' ' 29' ' ' LEU . 3.0 mp -71.88 -51.72 20.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 31' ' ' ASP . 12.3 p -47.35 -41.36 19.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 108.289 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.462 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 2.2 m-20 -62.97 -62.72 1.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.642 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -49.86 -54.17 21.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.712 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -40.14 -60.64 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' LEU . 3.1 mttt -46.12 -52.02 12.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -52.93 -25.88 13.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 32' ' ' GLU . 13.3 t -82.29 -22.08 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.583 HD11 ' CE2' ' A' ' 70' ' ' PHE . 16.2 mt -98.31 -3.81 36.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.504 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -47.42 -51.55 42.68 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.04 1.74 7.43 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.453 1.765 . . . . 0.0 111.038 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.542 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 97.9 m-85 -121.58 9.21 10.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 44' ' ' PHE . 1.4 mmmt -61.86 -46.23 90.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.11 -17.69 42.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -62.39 -28.27 69.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.346 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.631 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 1.9 p90 -163.72 -176.79 4.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.1 mt -95.68 99.99 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.58 HD13 HD23 ' A' ' 19' ' ' LEU . 34.5 tp -74.56 105.52 5.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -93.46 98.09 10.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.565 ' HG3' HD23 ' A' ' 21' ' ' LEU . 2.1 mt-10 -78.21 103.51 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.504 HG11 ' HE1' ' A' ' 22' ' ' PHE . 94.6 t -93.58 126.74 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.401 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 1.7 m-20 -87.34 102.91 14.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.74 HD11 ' CD1' ' A' ' 67' ' ' ILE . 14.8 pt -80.18 -18.73 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.594 HG22 ' HB2' ' A' ' 24' ' ' LYS . 30.1 p -70.56 -6.16 34.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.387 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.7 mt -78.76 159.9 73.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -37.58 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.86 -15.89 59.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.335 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 86.7 m-20 -110.57 5.86 21.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.48 -23.31 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.033 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.3 m -67.7 -53.01 31.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.423 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.622 ' HB3' HG22 ' A' ' 51' ' ' ILE . 59.5 m95 -52.49 -28.3 19.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 108.021 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.713 ' CD2' HD12 ' A' ' 51' ' ' ILE . 32.5 t80 -82.51 -53.39 6.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -52.06 -19.84 2.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.575 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -101.07 -32.31 10.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.575 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 24.7 m-85 -136.24 76.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.572 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 4.8 pttt -114.08 -1.71 13.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -140.12 15.53 2.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.402 1.064 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -119.0 -41.58 2.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.74 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.9 OUTLIER -36.48 155.04 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.1 Cg_endo -75.02 130.14 20.51 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.001 -2.5 . . . . 0.0 110.975 0.022 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.563 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 72.2 t -97.0 134.04 36.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.924 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 92.6 m-85 -116.5 120.2 38.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.585 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 37.4 m170 -114.88 116.95 29.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.591 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 1.094 HD13 HD11 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -103.08 119.54 39.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.463 ' OD1' HD13 ' A' ' 94' ' ' LEU . 5.2 m120 62.35 52.95 2.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 49.21 41.5 30.98 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -154.94 120.35 5.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 110.299 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.585 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 1.1 t80 -41.96 113.5 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.678 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -90.5 -43.39 10.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.447 ' HA ' ' CE1' ' A' ' 76' ' ' PHE . 8.9 ptt? -177.28 148.19 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 111.063 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.542 ' SD ' ' NE2' ' A' ' 80' ' ' HIS . 3.7 ptt? -144.99 161.47 39.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.542 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 4.5 m170 88.52 9.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.572 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 3.5 mtt85 161.11 -167.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.924 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 22.0 t -131.69 80.63 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 84' ' ' THR . 3.3 m-20 -80.03 77.9 6.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 83' ' ' ASN . 81.2 p -36.16 -52.18 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.412 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.2 OUTLIER -37.86 -44.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.016 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -62.51 1.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.609 HD21 ' HE2' ' A' ' 44' ' ' PHE . 12.8 tp -41.51 -67.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -41.41 -52.39 3.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -50.15 -54.07 23.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 93' ' ' LYS . 15.0 mm100 -58.75 -49.24 78.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.346 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.4 mt -40.93 -44.68 2.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.7 ptt85 -79.49 -35.4 40.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.486 ' O ' ' CG ' ' A' ' 93' ' ' LYS . 3.6 tttt -101.94 75.43 1.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.094 HD11 HD13 ' A' ' 72' ' ' LEU . 8.6 mt -144.99 -59.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.8 t 57.29 165.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.974 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -42.23 135.23 3.75 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -66.68 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.447 1.762 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.2 t -112.3 106.33 14.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.0 p -165.63 139.2 4.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.537 1.148 . . . . 0.0 110.992 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.6 p -88.8 149.43 23.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 110.01 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.14 -58.13 2.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 110.016 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.71 168.37 34.06 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -151.26 170.17 20.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 0.737 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 p -172.23 136.87 0.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.13 -134.96 6.18 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.53 102.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 109.329 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.22 105.61 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.9 p -133.05 170.8 14.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 109.997 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 61.57 149.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.62 137.34 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 110.058 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -119.5 164.52 15.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.4 121.46 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -169.41 120.36 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.9 mt -104.99 157.01 35.16 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.92 42.97 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.4 t -100.37 116.0 42.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.716 HD23 HD13 ' A' ' 46' ' ' LEU . 8.5 tp -102.84 110.1 21.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.408 ' HB ' ' HB2' ' A' ' 71' ' ' HIS . 45.8 m -80.8 109.1 15.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.683 ' HB2' HD11 ' A' ' 46' ' ' LEU . 8.3 tp -100.3 122.71 43.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.437 ' CZ ' ' CZ3' ' A' ' 59' ' ' TRP . 70.4 m-85 -105.32 99.31 8.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -107.46 171.4 7.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.769 ' HG2' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -165.37 -176.61 4.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.54 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -150.13 140.76 14.27 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.02 147.07 88.35 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.037 -2.484 . . . . 0.0 110.973 -0.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.3 t -165.19 101.16 0.79 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 108.318 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -21.16 16.13 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.468 1.773 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.414 ' CD2' ' N ' ' A' ' 29' ' ' LEU . 1.1 mm? -70.06 -57.35 5.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.478 ' SG ' ' N ' ' A' ' 31' ' ' ASP . 11.6 p -40.52 -42.19 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.286 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.478 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -57.09 -65.3 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.914 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -53.6 -50.41 65.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 110.266 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.767 ' HA ' HG21 ' A' ' 82' ' ' VAL . . . -41.84 -62.59 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 37' ' ' LEU . 2.0 mttm -46.63 -53.06 12.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -53.47 -26.53 20.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 32' ' ' GLU . 6.3 t -82.0 -19.82 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.587 HD11 ' CE2' ' A' ' 70' ' ' PHE . 15.4 mt -100.92 -1.43 34.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.492 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -49.69 -52.16 53.43 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.285 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.0 1.11 8.1 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.51 1.795 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.417 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 97.8 m-85 -119.85 12.34 12.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -68.4 -53.44 23.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.53 -13.83 60.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -64.73 -42.7 95.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.837 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.1 p90 -149.46 -172.89 4.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 10.4 mt -98.84 98.78 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.716 HD13 HD23 ' A' ' 19' ' ' LEU . 41.6 tp -75.28 107.17 7.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -93.68 97.82 10.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.433 ' OE2' ' NZ ' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -77.89 106.74 9.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.434 HG11 ' HE1' ' A' ' 22' ' ' PHE . 72.4 t -95.35 129.16 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.41 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 8.5 m-20 -87.87 103.06 15.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.728 HD11 ' CD1' ' A' ' 67' ' ' ILE . 14.2 pt -82.71 -14.3 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 4.8 p -73.95 -4.38 34.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.403 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.4 mt -82.76 159.34 63.69 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -35.27 3.25 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -77.29 -12.41 59.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 90.4 m-20 -115.49 6.11 14.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.18 -29.65 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.026 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -65.45 -45.66 82.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.43 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.706 ' HB3' HG22 ' A' ' 51' ' ' ILE . 44.5 m95 -57.92 -29.53 65.2 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.718 ' CD2' HD12 ' A' ' 51' ' ' ILE . 31.9 t80 -82.22 -56.75 3.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -50.92 -21.36 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.341 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.584 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 11.0 ptm180 -98.23 -30.91 12.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.584 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 21.7 m-85 -138.71 74.71 1.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.624 ' CE ' ' CE2' ' A' ' 65' ' ' PHE . 3.7 pttt -109.99 -35.22 6.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.624 ' CE2' ' CE ' ' A' ' 64' ' ' LYS . 11.5 m-85 -106.63 12.37 29.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -111.62 -46.14 3.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.769 HD12 ' HG2' ' A' ' 24' ' ' LYS . 1.5 pt -36.16 155.27 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -75.02 131.32 23.84 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.048 -2.48 . . . . 0.0 111.003 0.036 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.558 HG12 ' CD2' ' A' ' 71' ' ' HIS . 91.6 t -99.45 139.63 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.926 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 89.6 m-85 -122.6 121.39 36.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.573 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 44.7 m170 -115.24 117.84 31.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 1.01 HD13 HD11 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -105.32 123.33 47.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.604 ' OD1' HD13 ' A' ' 94' ' ' LEU . 4.3 m120 62.13 44.73 7.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.28 41.4 79.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -154.48 119.65 5.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.769 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.573 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -39.68 107.96 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 111.028 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.708 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -85.53 -44.57 12.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.4 ' HA ' ' CE1' ' A' ' 76' ' ' PHE . 9.8 ptt? -175.52 148.39 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.571 ' HG3' ' CE1' ' A' ' 80' ' ' HIS . 5.2 ptp -145.11 162.69 36.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.571 ' CE1' ' HG3' ' A' ' 79' ' ' MET . 6.7 m170 87.82 8.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.617 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.464 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 160.7 -174.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.926 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 7.9 t -124.01 81.81 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 84' ' ' THR . 1.7 m120 -81.2 77.71 8.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.427 ' CG2' HG12 ' A' ' 36' ' ' VAL . 24.9 p -36.29 -48.95 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.412 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m -41.39 -49.99 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -64.4 -56.11 16.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.447 HD21 ' HE2' ' A' ' 44' ' ' PHE . 6.8 tp -47.24 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -41.59 -53.25 3.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.97 -54.42 6.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' LEU . 48.7 mm-40 -58.74 -55.21 38.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.837 HD21 ' HD2' ' A' ' 44' ' ' PHE . 19.4 mt -39.88 -55.97 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.0 mtp85 -42.76 -59.0 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.341 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.53 129.31 34.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.01 HD11 HD13 ' A' ' 72' ' ' LEU . 5.7 mt -143.84 -64.82 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.4 t -86.66 -56.26 3.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.49 176.87 51.63 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 85.55 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 42.59 84.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.8 t -53.21 143.47 18.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.549 1.156 . . . . 0.0 111.043 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 t -122.35 96.82 5.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 0.803 . . . . 0.0 110.024 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.53 93.79 5.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.01 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.01 146.49 4.34 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.55 96.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.937 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.08 158.02 2.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 109.96 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.75 133.89 1.58 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -117.18 108.9 16.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.747 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.69 107.81 0.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.91 168.26 26.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.969 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -148.63 142.82 26.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.3 p -83.41 77.06 9.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -169.22 105.16 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -170.06 105.5 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -140.85 123.44 16.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.8 mt -92.29 156.85 41.41 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 166.64 28.78 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.543 1.812 . . . . 0.0 111.05 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.0 t -109.35 116.94 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.088 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.7 HD11 HD23 ' A' ' 77' ' ' LEU . 7.0 tp -102.67 112.17 24.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.112 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.49 114.46 17.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.422 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.605 ' HB2' HD11 ' A' ' 46' ' ' LEU . 6.3 tp -109.3 122.73 47.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.819 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 89.2 m-85 -114.67 107.35 15.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.447 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 1.5 t -121.67 152.66 39.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 110.399 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.65 ' HD3' HD11 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -137.15 120.58 17.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.513 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -88.16 137.91 30.94 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.05 164.61 88.0 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.026 -2.489 . . . . 0.0 110.967 0.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.497 ' HB3' ' O ' ' A' ' 24' ' ' LYS . 1.7 p -169.65 109.85 0.47 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 108.257 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -28.69 8.95 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.774 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 32' ' ' GLU . 18.8 mt -85.57 -66.61 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.447 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 35.8 m -43.78 -30.96 0.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 108.298 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -68.96 -49.17 60.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.483 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -68.77 -45.8 70.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.734 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -38.53 -58.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.588 ' CG ' HD21 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -46.66 -49.16 19.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 32' ' ' GLU . 10.0 mt-10 -56.37 -27.14 55.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 32' ' ' GLU . 14.8 t -80.79 -17.43 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.552 HD11 ' CE1' ' A' ' 70' ' ' PHE . 16.5 mt -102.52 10.41 38.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.509 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 1.1 mt-30 -61.43 -51.19 79.21 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.01 -1.57 11.4 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.454 1.765 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.468 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 98.0 m-85 -116.43 2.78 13.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -58.77 -31.58 68.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -94.38 -16.25 23.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -70.21 -10.03 57.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.592 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 2.3 p90 176.77 175.23 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 57.7 mt -91.02 98.99 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.628 HD13 HD23 ' A' ' 19' ' ' LEU . 57.6 tp -71.4 111.21 6.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.348 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.454 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.61 102.95 15.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.457 ' HG3' HD23 ' A' ' 21' ' ' LEU . 2.8 mt-10 -84.4 100.29 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.702 HG11 ' HE1' ' A' ' 22' ' ' PHE . 96.4 t -93.9 147.71 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.2 102.87 12.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.625 HD12 ' CD2' ' A' ' 60' ' ' TYR . 13.7 pt -80.04 -11.08 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.447 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 21.6 p -75.42 0.24 17.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.422 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.0 mt -92.0 160.1 36.43 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -37.66 1.91 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.503 1.791 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -72.53 -20.88 61.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.349 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -106.26 7.71 31.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.4 t -49.58 -22.08 1.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -70.03 -49.84 47.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.819 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 78.9 m95 -59.22 -19.65 47.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 108.012 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.625 ' CD2' HD12 ' A' ' 51' ' ' ILE . 38.2 t80 -88.95 -56.18 3.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -52.22 -20.03 2.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.568 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 9.4 ptm180 -96.82 -31.48 12.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.697 ' CG ' HG21 ' A' ' 69' ' ' VAL . 22.3 m-85 -135.48 66.77 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.09 -9.21 20.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.477 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 2.3 p90 -147.48 17.28 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 111.038 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.477 ' OD1' ' CD1' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -129.4 30.37 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.65 HD11 ' HD3' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -104.36 163.91 16.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.568 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.97 151.81 97.4 Favored 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.988 0.013 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.697 HG21 ' CG ' ' A' ' 63' ' ' TYR . 71.8 t -107.88 149.99 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.958 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 97.3 m-85 -138.17 117.42 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.555 ' CE1' ' CG1' ' A' ' 69' ' ' VAL . 1.4 m-70 -110.84 117.45 33.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.612 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.891 HD13 HD11 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -103.46 118.61 37.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 68.11 24.91 7.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.29 39.11 32.23 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -150.97 119.11 6.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.462 ' O ' ' CG ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -38.23 101.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.7 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -80.52 -43.73 20.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.647 ' HE2' HD21 ' A' ' 77' ' ' LEU . 7.0 ptt? -175.62 149.65 1.0 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.519 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 3.2 ptt? -143.35 158.52 43.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.519 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 3.4 m170 87.68 9.64 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.64 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.476 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 7.5 mtt180 160.45 -168.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.958 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 16.4 t -129.93 81.05 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 86' ' ' LYS . 2.3 m120 -73.99 78.72 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 83' ' ' ASN . 1.4 p -37.34 -49.04 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.374 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.3 t -42.08 -48.22 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.527 ' HD2' HD12 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -67.73 -60.41 2.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.419 HD11 HD11 ' A' ' 91' ' ' LEU . 16.6 tp -40.56 -67.19 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -44.5 -55.92 4.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.06 -49.34 8.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 94' ' ' LEU . 15.2 mm100 -62.29 -55.77 25.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.461 HD21 ' HD2' ' A' ' 44' ' ' PHE . 69.2 mt -47.64 -53.62 14.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 91' ' ' LEU . 11.4 mtt85 -37.97 -46.2 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 0.5 OUTLIER -119.84 -86.48 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.891 HD11 HD13 ' A' ' 72' ' ' LEU . 1.5 mt 76.41 -53.11 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.1 m -141.75 -58.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.034 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 168.27 -135.78 3.79 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 66.27 6.04 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.12 -84.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.972 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.11 152.58 21.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 110.985 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.1 p -63.68 140.08 58.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 109.985 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.8 p -150.05 102.33 3.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.92 -82.13 1.54 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.124 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -74.13 166.19 23.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 0.0 109.986 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.18 111.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.991 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.97 -83.63 0.04 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -96.02 125.2 40.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 10' ' ' SER . 4.1 pp -123.26 -46.29 2.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.44 ' N ' HD12 ' A' ' 9' ' ' LEU . 73.4 m 47.71 88.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.991 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -129.54 165.19 22.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.8 p -148.04 98.68 2.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 57.68 171.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -161.11 89.8 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.27 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.33 127.51 22.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.6 mt -99.93 157.17 34.38 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.37 27.2 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.45 1.763 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.3 t -110.38 110.12 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.841 HD23 ' CD1' ' A' ' 46' ' ' LEU . 7.3 tp -95.93 111.6 23.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.2 m -84.37 106.36 15.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.439 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.484 ' HB2' HD11 ' A' ' 46' ' ' LEU . 18.8 tp -97.6 119.68 36.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.357 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.565 ' CD1' ' HB ' ' A' ' 49' ' ' VAL . 72.1 m-85 -105.11 100.78 10.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -120.18 175.03 6.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.408 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.467 ' O ' ' SG ' ' A' ' 27' ' ' CYS . 2.2 ptmt -149.4 -173.9 4.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.474 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -141.43 131.34 12.85 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -74.99 165.83 84.9 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.963 -2.516 . . . . 0.0 110.999 -0.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.467 ' SG ' ' O ' ' A' ' 24' ' ' LYS . 28.3 p -153.25 99.42 2.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.332 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -27.27 10.09 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 32' ' ' GLU . 5.8 mt -86.61 -65.51 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.405 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 34.1 m -42.5 -29.57 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 108.303 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.454 ' N ' ' C ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -61.65 -51.62 67.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -71.87 -49.11 40.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.549 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -36.79 -57.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' CE ' HG21 ' A' ' 23' ' ' THR . 47.9 mttt -46.47 -50.83 16.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 32' ' ' GLU . 8.8 mt-10 -54.83 -26.07 32.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 33' ' ' ALA . 13.7 t -81.46 -16.2 12.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.551 HD11 ' CE2' ' A' ' 70' ' ' PHE . 13.9 mt -103.83 -0.74 28.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.47 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -50.34 -53.16 47.77 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.2 Cg_endo -75.01 1.25 7.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -119.86 12.96 12.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 44' ' ' PHE . 9.0 mtmp? -69.56 -51.95 30.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -15.51 60.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.424 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 4.0 mmp_? -63.89 -46.86 82.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.783 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.3 p90 -145.01 -176.77 5.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.7 mt -95.51 99.83 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.841 ' CD1' HD23 ' A' ' 19' ' ' LEU . 32.2 tp -76.57 105.34 7.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.591 1.182 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -93.6 98.49 11.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' HG3' HD23 ' A' ' 21' ' ' LEU . 2.2 mt-10 -79.31 105.16 10.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.565 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 77.1 t -93.48 133.31 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -91.55 103.3 15.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.745 HD12 ' CD2' ' A' ' 60' ' ' TYR . 11.2 pt -82.91 -9.78 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 24' ' ' LYS . 15.6 p -77.34 -2.3 34.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.373 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 53' ' ' LEU . 28.5 mt -86.4 161.43 48.69 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -38.2 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.541 1.811 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.21 -26.72 62.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -102.06 6.89 41.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 t -50.98 -22.0 2.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.9 m -68.23 -51.75 41.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.382 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.618 ' CB ' HG22 ' A' ' 51' ' ' ILE . 68.8 m95 -54.78 -28.83 51.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 108.025 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.745 ' CD2' HD12 ' A' ' 51' ' ' ILE . 31.1 t80 -80.37 -53.13 6.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.97 -18.45 3.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.261 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.562 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 9.1 ptm180 -102.6 -30.44 10.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.562 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 24.8 m-85 -140.33 76.73 1.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.584 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 23.1 pttt -116.85 -5.16 11.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -135.94 9.75 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.648 ' HB3' ' HE2' ' A' ' 80' ' ' HIS . 1.5 m-20 -113.08 -40.67 3.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.677 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.9 OUTLIER -36.01 155.45 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.97 130.95 22.61 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.025 -0.101 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.586 HG12 ' CD2' ' A' ' 71' ' ' HIS . 62.8 t -102.9 121.22 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.916 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 94.5 m-85 -101.76 123.34 45.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.586 ' CD2' HG12 ' A' ' 69' ' ' VAL . 33.2 m170 -115.93 117.44 30.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 109.625 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 1.059 HD13 HD11 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -106.13 119.49 39.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.571 ' OD1' HD13 ' A' ' 94' ' ' LEU . 5.7 m120 62.29 51.98 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 48.83 37.58 21.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.95 115.56 5.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 0.777 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.58 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -38.93 111.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.639 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -88.46 -45.46 9.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.2 ptt? -177.4 150.21 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.592 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 3.8 ptt? -146.38 161.89 39.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.648 ' HE2' ' HB3' ' A' ' 66' ' ' ASP . 5.1 m170 87.53 9.91 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.595 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.482 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 15.1 mtt180 159.93 -173.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.916 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 21.0 t -123.26 81.44 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 86' ' ' LYS . 3.1 t-20 -74.83 75.57 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' ASN . 1.3 p -37.41 -53.07 1.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.143 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.8 t -41.69 -45.45 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.968 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER -69.7 -56.02 8.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.416 HD11 ' HE2' ' A' ' 44' ' ' PHE . 4.3 tp -47.53 -65.53 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.446 ' HA ' HD12 ' A' ' 91' ' ' LEU . 2.1 mt-10 -43.07 -49.87 6.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.428 ' HG2' ' NH1' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -53.32 -54.64 33.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.427 ' HG3' HD13 ' A' ' 77' ' ' LEU . 13.4 mm100 -54.74 -51.32 66.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.783 HD21 ' HD2' ' A' ' 44' ' ' PHE . 35.0 mt -38.82 -39.9 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.428 ' NH1' ' HG2' ' A' ' 89' ' ' LYS . 1.9 ptt-85 -92.77 -36.35 12.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -44.6 85.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.059 HD11 HD13 ' A' ' 72' ' ' LEU . 60.6 mt -54.36 -51.5 64.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 41.8 t -150.74 135.65 17.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -122.25 -159.1 10.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.564 1.165 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -43.48 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.781 . . . . 0.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.6 m 60.1 153.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.972 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.6 m -61.65 129.45 41.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 p -151.18 151.2 31.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 110.003 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.3 p -162.18 -61.49 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.98 -152.25 23.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.52 169.1 4.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.974 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.7 171.58 15.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.981 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.57 -179.85 16.05 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -177.42 127.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.74 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.71 107.02 11.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.7 p -84.02 168.85 15.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.08 166.07 23.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.3 86.7 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 178.57 134.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.401 HH21 HD11 ' A' ' 16' ' ' LEU . 1.7 ttp180 -153.18 141.99 21.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -170.63 130.24 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.401 HD11 HH21 ' A' ' 14' ' ' ARG . 34.1 mt -101.66 157.31 33.92 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.61 16.03 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.454 1.765 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.2 t -115.46 115.07 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.248 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.84 HD23 HD13 ' A' ' 46' ' ' LEU . 6.5 tp -98.7 111.0 23.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m -78.65 106.19 10.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.377 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.735 HD23 ' HG3' ' A' ' 48' ' ' GLU . 5.5 tp -100.57 122.33 43.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.646 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 61.3 m-85 -107.81 103.26 12.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.577 HG21 ' HE2' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -117.64 171.31 8.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.406 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.702 ' HG2' HD12 ' A' ' 67' ' ' ILE . 3.0 pttt -164.61 121.34 1.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.509 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -87.63 137.55 32.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.95 164.87 87.38 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.998 -2.501 . . . . 0.0 111.018 -0.088 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.554 ' HB3' ' O ' ' A' ' 24' ' ' LYS . 2.9 p -172.53 110.63 0.36 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 108.334 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.52 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.457 1.767 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' CYS . 7.9 mp -73.22 -67.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' LEU . 44.7 m -40.39 -46.11 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 108.321 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -54.23 -58.1 8.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.649 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -61.07 -45.86 93.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.752 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -39.11 -61.29 0.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.577 ' HE2' HG21 ' A' ' 23' ' ' THR . 13.4 mttt -45.93 -51.71 12.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -54.22 -28.92 44.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 32' ' ' GLU . 17.4 t -78.84 -21.42 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.562 HD11 ' CE2' ' A' ' 70' ' ' PHE . 12.4 mt -96.92 18.29 14.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.515 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 1.3 mt-30 -66.4 -50.85 46.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.01 0.85 8.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.545 1.813 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.572 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 74.6 m-85 -124.78 -0.2 8.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' LEU . 15.2 pttp -61.22 -22.24 64.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -103.7 -15.33 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.789 ' HD2' HD13 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -70.63 -13.37 62.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.601 ' HD2' HD21 ' A' ' 91' ' ' LEU . 6.4 p90 -173.78 179.18 2.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.6 mt -95.58 98.88 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.84 HD13 HD23 ' A' ' 19' ' ' LEU . 52.1 tp -73.3 108.84 6.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -93.55 98.81 11.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.735 ' HG3' HD23 ' A' ' 21' ' ' LEU . 2.2 mt-10 -80.07 101.86 8.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.513 HG11 ' CE1' ' A' ' 22' ' ' PHE . 94.4 t -88.23 138.87 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -99.48 102.95 14.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.707 HG22 ' HB3' ' A' ' 59' ' ' TRP . 24.4 pt -77.86 -26.99 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.506 HG23 ' HB2' ' A' ' 24' ' ' LYS . 4.8 p -56.59 -16.98 7.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.4 mt -70.64 157.57 89.85 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -37.42 2.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.87 -35.33 76.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.252 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 59' ' ' TRP . 87.4 m-20 -91.15 7.5 40.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.2 t -44.38 -27.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -70.83 -42.47 70.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.434 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.707 ' HB3' HG22 ' A' ' 51' ' ' ILE . 48.0 m95 -61.3 -16.14 42.65 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.601 ' CD2' HD12 ' A' ' 51' ' ' ILE . 28.6 t80 -96.35 -54.44 3.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.419 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 10.2 mt-10 -51.19 -20.43 1.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.561 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 11.1 ptm180 -99.21 -34.35 10.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.239 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.561 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 22.5 m-85 -131.13 71.29 1.47 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.505 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -109.33 -6.12 15.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.427 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 0.9 OUTLIER -143.15 14.13 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.96 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.663 ' HB3' ' HE2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -111.6 -46.23 3.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.702 HD12 ' HG2' ' A' ' 24' ' ' LYS . 5.3 pt -35.79 156.73 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.2 Cg_endo -75.03 135.31 39.91 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.021 -0.041 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.563 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 97.0 t -105.64 139.66 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.93 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 95.5 m-85 -122.65 123.53 41.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.563 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 45.8 m170 -115.52 122.23 45.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.622 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.848 HD13 HD22 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -106.51 113.43 26.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 72' ' ' LEU . 2.8 m120 64.11 56.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 48.82 41.78 28.27 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -153.25 123.36 6.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.784 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.55 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -48.22 111.04 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.766 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -88.59 -44.56 10.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.266 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.405 ' O ' ' HB2' ' A' ' 70' ' ' PHE . 9.2 ptt? -177.43 151.81 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.62 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 4.1 ptt? -149.4 163.46 37.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.663 ' HE2' ' HB3' ' A' ' 66' ' ' ASP . 6.0 m170 87.22 10.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.574 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.466 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 160.94 -170.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.93 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 48.2 t -129.96 83.51 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 84' ' ' THR . 7.2 m120 -83.76 76.76 9.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 83' ' ' ASN . 2.4 p -35.47 -46.98 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.415 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.6 -46.07 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.475 ' HD3' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -69.83 -62.42 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.467 HD12 ' HG ' ' A' ' 91' ' ' LEU . 4.2 tp -39.83 -68.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -41.48 -52.15 3.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.36 -63.22 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 91' ' ' LEU . 14.0 mm100 -51.71 -53.78 35.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.789 HD13 ' HD2' ' A' ' 43' ' ' ARG . 21.6 mt -37.45 -61.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -39.17 -63.57 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -103.66 104.97 15.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.097 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.848 HD22 HD13 ' A' ' 72' ' ' LEU . 10.2 tp -175.94 -65.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.85 151.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.02 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 139.86 -166.71 25.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 98.66 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.5 1.79 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.7 m -41.67 119.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.956 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.5 t -105.31 87.06 2.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.984 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.418 HD13 ' O ' ' A' ' 42' ' ' ASP . 18.3 mt -96.65 157.65 34.94 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.403 ' HB2' ' CD2' ' A' ' 72' ' ' LEU . 18.2 Cg_endo -74.96 157.85 42.69 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.1 t -100.32 110.92 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.692 HD11 HD23 ' A' ' 77' ' ' LEU . 7.4 tp -93.24 111.5 23.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -79.86 102.0 8.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.397 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.566 HD12 ' N ' ' A' ' 22' ' ' PHE . 2.6 tp -95.14 121.41 36.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.62 ' HE1' HG11 ' A' ' 49' ' ' VAL . 57.9 m-85 -109.61 98.67 7.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.447 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -101.74 165.32 11.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.421 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.852 ' HG2' HD12 ' A' ' 67' ' ' ILE . 1.7 ptmt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.431 ' C ' ' N ' ' A' ' 31' ' ' ASP . 18.8 mt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.447 ' HB2' ' CB ' ' A' ' 23' ' ' THR . 14.7 p -48.61 -24.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.269 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.431 ' N ' ' C ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -70.84 -56.4 6.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.624 ' O ' HG23 ' A' ' 36' ' ' VAL . 3.9 tt0 -61.87 -49.39 76.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.718 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -37.99 -61.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.456 ' CG ' HD21 ' A' ' 21' ' ' LEU . 4.6 mtpm? -45.43 -52.31 10.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -53.18 -29.1 29.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 32' ' ' GLU . 13.2 t -78.57 -19.28 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.562 HD11 ' CE2' ' A' ' 70' ' ' PHE . 16.2 mt -101.57 19.79 17.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.509 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -69.09 -51.14 18.8 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.568 ' HG2' ' CE1' ' A' ' 40' ' ' TYR . 18.3 Cg_endo -75.03 0.79 8.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.568 ' CE1' ' HG2' ' A' ' 39' ' ' PRO . 55.9 m-85 -123.19 10.42 9.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -62.95 -33.1 74.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.418 ' O ' HD13 ' A' ' 16' ' ' LEU . 1.1 p-10 -97.26 -13.88 21.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.43 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 4.9 mmp_? -68.76 -9.01 48.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.737 ' HD2' HD21 ' A' ' 91' ' ' LEU . 2.5 p90 178.69 177.97 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 12.8 mt -92.48 100.43 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.605 HD13 HD23 ' A' ' 19' ' ' LEU . 42.4 tp -73.68 105.66 5.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' LEU . 13.8 tt0 -93.77 98.43 11.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.522 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -79.5 108.41 13.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.62 HG11 ' HE1' ' A' ' 22' ' ' PHE . 94.0 t -100.73 127.6 53.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -86.65 103.15 14.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.757 ' CD1' HD13 ' A' ' 67' ' ' ILE . 22.5 pt -81.67 -19.3 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.1 p -66.93 -10.29 47.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 mt -80.72 160.11 67.52 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -45.48 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.769 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -62.42 -21.14 65.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -108.1 4.67 25.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.2 t -45.1 -33.12 2.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 m -58.62 -54.62 45.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.455 ' HB3' HG22 ' A' ' 51' ' ' ILE . 63.5 m95 -49.74 -43.93 48.18 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.586 ' CD2' HD12 ' A' ' 51' ' ' ILE . 42.7 t80 -67.64 -55.81 11.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.953 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -45.86 -35.42 4.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.51 ' NE ' ' CE2' ' A' ' 63' ' ' TYR . 8.6 ptm180 -88.55 -29.25 20.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.51 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 21.4 m-85 -134.82 68.13 1.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.58 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -103.61 -17.09 15.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.469 ' CD2' ' HG3' ' A' ' 64' ' ' LYS . 1.3 p90 -132.25 5.77 4.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.492 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -117.33 29.48 7.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.852 HD12 ' HG2' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -109.11 162.59 19.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.534 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.98 147.63 89.75 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.97 -2.513 . . . . 0.0 111.007 -0.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.527 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 45.8 t -104.06 152.11 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.935 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 96.7 m-85 -137.28 118.7 14.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.551 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 36.3 m170 -112.21 118.4 35.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.623 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -103.75 112.3 25.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.51 28.97 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.47 38.82 57.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -149.9 117.52 6.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.551 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -38.17 102.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.692 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -82.48 -43.52 17.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.523 ' HE2' HD21 ' A' ' 77' ' ' LEU . 8.9 ptt? -175.62 149.05 0.94 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.527 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 3.1 ptt? -144.45 157.88 44.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.527 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 3.3 m170 87.53 9.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.596 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.424 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.5 OUTLIER 164.34 -166.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.935 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 21.6 t -135.54 80.23 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' THR . 1.7 m120 -76.22 77.29 3.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 83' ' ' ASN . 18.2 p -35.76 -53.72 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.41 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' THR . 3.9 t -39.14 -49.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -64.09 -51.31 64.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.464 HD21 ' HE2' ' A' ' 44' ' ' PHE . 7.7 tp -51.12 -63.82 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -41.66 -53.53 3.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.39 -61.25 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 91' ' ' LEU . 32.8 mm-40 -53.5 -53.21 54.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.737 HD21 ' HD2' ' A' ' 44' ' ' PHE . 23.1 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.2 mt -100.59 157.13 34.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 164.46 33.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -108.21 107.94 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.669 HD11 HD23 ' A' ' 77' ' ' LEU . 5.8 tp -90.87 109.56 20.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.4 m -78.69 99.9 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.398 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.604 ' HB2' HD11 ' A' ' 46' ' ' LEU . 2.2 tp -91.29 121.68 33.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.692 ' CZ ' ' CZ3' ' A' ' 59' ' ' TRP . 72.6 m-85 -108.2 100.18 9.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.48 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -108.35 161.9 14.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.907 ' HG2' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 29' ' ' LEU . 6.2 mp . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.48 ' HB2' ' CB ' ' A' ' 23' ' ' THR . 12.1 p -41.7 -38.77 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 108.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.417 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 1.5 t70 -65.91 -56.45 11.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -58.7 -52.79 64.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.651 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -38.74 -58.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -45.64 -51.26 12.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -53.47 -28.55 31.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 32' ' ' GLU . 15.7 t -79.14 -19.16 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.522 HD11 ' CE2' ' A' ' 70' ' ' PHE . 16.6 mt -102.24 19.12 19.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.511 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -69.46 -50.65 18.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.5 Cg_endo -74.98 0.89 8.35 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.781 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.569 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 59.7 m-85 -127.55 21.29 6.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.81 -18.95 45.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -106.78 -15.11 14.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.98 -32.33 70.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.787 ' HD2' HD21 ' A' ' 91' ' ' LEU . 4.5 p90 -151.88 178.63 9.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.7 mt -94.91 99.91 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.34 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.644 ' CD1' HD23 ' A' ' 19' ' ' LEU . 42.3 tp -71.68 104.85 3.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 21' ' ' LEU . 14.9 tt0 -93.96 98.78 11.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.426 ' HG3' HD23 ' A' ' 21' ' ' LEU . 1.7 mt-10 -77.68 105.73 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.572 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 81.4 t -96.82 122.99 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.01 103.17 12.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.704 ' CD1' HD13 ' A' ' 67' ' ' ILE . 16.1 pt -81.81 -11.55 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.571 HG22 ' HB2' ' A' ' 24' ' ' LYS . 69.0 p -76.7 -0.26 22.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.9 mt -88.08 160.99 45.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -40.21 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.52 1.8 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.99 -22.36 63.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -105.87 6.04 31.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.4 t -46.82 -25.29 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.012 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 m -66.64 -59.12 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.692 ' CZ3' ' CZ ' ' A' ' 22' ' ' PHE . 69.3 m95 -46.13 -34.14 4.03 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.658 ' CD2' HD12 ' A' ' 51' ' ' ILE . 35.8 t80 -76.89 -55.65 5.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.12 -28.56 4.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.543 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 12.6 ptp180 -91.11 -30.29 16.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.543 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 28.4 m-85 -137.76 70.07 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -102.39 -20.02 14.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -128.76 7.11 5.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.487 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -120.33 30.37 7.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.907 HD12 ' HG2' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -108.25 163.04 17.83 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.542 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.2 Cg_endo -75.03 148.44 91.7 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.985 0.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 66' ' ' ASP . 48.6 t -106.3 149.33 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.966 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 93.8 m-85 -132.42 116.84 17.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.57 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 31.2 m170 -110.76 117.09 32.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.602 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.449 ' HG ' ' CD1' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -102.28 117.43 34.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 62.65 50.93 3.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 52.77 41.44 57.94 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -154.37 118.54 4.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 0.762 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.57 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.2 OUTLIER -41.75 117.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 111.05 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.669 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -95.41 -44.64 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.661 ' HE2' HD21 ' A' ' 77' ' ' LEU . 7.9 ptt? -174.87 149.07 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.505 ' C ' ' CG ' ' A' ' 80' ' ' HIS . 2.3 ptt? -142.51 156.41 45.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.505 ' CG ' ' C ' ' A' ' 79' ' ' MET . 1.6 m170 87.5 9.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.608 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 1.3 mtt85 161.82 -167.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.265 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.966 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 57.7 t -132.67 80.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -70.26 81.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.4 p -37.37 -53.03 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.375 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.91 -51.62 3.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.007 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -60.54 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.543 HD11 HD11 ' A' ' 91' ' ' LEU . 3.2 tp -40.01 -68.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.637 ' HA ' HD12 ' A' ' 91' ' ' LEU . 4.9 mt-10 -43.97 -49.79 8.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.57 -61.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 91' ' ' LEU . 31.7 mm-40 -53.74 -53.35 53.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.787 HD21 ' HD2' ' A' ' 44' ' ' PHE . 32.1 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.2 mt -87.05 151.62 52.02 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 159.08 41.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.53 1.805 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.4 t -105.78 115.7 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.757 HD11 HD23 ' A' ' 77' ' ' LEU . 6.2 tp -100.87 115.11 29.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 m -77.41 123.43 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.658 ' HB2' HD11 ' A' ' 46' ' ' LEU . 1.5 tp -117.45 121.2 40.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.655 ' N ' HD12 ' A' ' 21' ' ' LEU . 69.3 m-85 -110.61 98.53 7.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.492 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -104.52 170.11 8.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.416 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.874 ' HG2' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.9 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.492 ' HB2' ' CB ' ' A' ' 23' ' ' THR . 14.4 p -48.17 -26.51 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.294 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.16 -58.14 3.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.726 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -54.5 -53.02 59.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.672 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -39.79 -62.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -45.25 -52.34 9.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -53.45 -28.98 33.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 32' ' ' GLU . 8.1 t -78.37 -18.28 13.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.54 HD11 ' CE2' ' A' ' 70' ' ' PHE . 14.1 mt -101.15 19.4 17.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.505 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -69.07 -51.27 18.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.4 Cg_endo -75.0 1.17 8.03 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.48 ' CE2' ' HG2' ' A' ' 39' ' ' PRO . 70.8 m-85 -122.81 4.42 9.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -61.51 -35.78 78.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.91 -17.57 26.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.438 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 3.5 mmp_? -64.54 -27.81 69.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.671 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.8 p90 -163.88 178.34 7.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.9 mt -93.78 98.68 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.658 HD11 ' HB2' ' A' ' 21' ' ' LEU . 60.3 tp -71.8 112.54 7.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.455 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.95 103.5 15.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.32 101.12 11.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 67.9 t -97.14 133.02 40.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.406 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 15.0 m-20 -92.93 103.1 15.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.725 ' CD1' HD13 ' A' ' 67' ' ' ILE . 13.2 pt -81.78 -15.79 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.796 HG22 ' HB2' ' A' ' 24' ' ' LYS . 20.1 p -70.8 -9.77 58.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 53' ' ' LEU . 37.3 mt -80.27 160.41 68.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -37.83 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.542 1.812 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -63.98 -38.7 92.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 76.2 m-20 -94.7 7.14 46.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.3 t -43.44 -28.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.3 m -65.19 -59.65 3.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.585 ' CE3' ' HD3' ' A' ' 62' ' ' ARG . 51.6 m95 -43.6 -40.61 4.14 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.713 ' CD2' HD12 ' A' ' 51' ' ' ILE . 33.0 t80 -69.78 -57.41 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -43.17 -37.41 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.262 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.635 ' NE ' ' CE2' ' A' ' 63' ' ' TYR . 17.6 ptm180 -85.73 -35.87 20.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.244 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.635 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 19.9 m-85 -127.45 69.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.584 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -104.68 -15.98 15.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -135.01 16.2 3.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.52 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -128.82 31.51 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.874 HD12 ' HG2' ' A' ' 24' ' ' LYS . 0.6 OUTLIER -110.47 162.73 19.34 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.538 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.4 Cg_endo -74.97 150.14 94.98 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.022 -0.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.559 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 71.5 t -107.37 151.9 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.849 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 96.5 m-85 -136.53 119.26 16.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.559 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 38.0 m170 -113.02 117.74 32.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.605 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.573 ' HG ' HD13 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -99.55 113.14 25.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 65.43 49.63 1.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.248 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 56.07 41.48 85.45 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -153.18 122.26 6.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.784 . . . . 0.0 110.265 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.554 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.4 OUTLIER -45.81 113.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.757 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -93.4 -42.61 9.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.544 ' HE2' HD21 ' A' ' 77' ' ' LEU . 7.8 ptt? -176.86 149.74 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.95 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.512 ' SD ' ' NE2' ' A' ' 80' ' ' HIS . 2.2 ptt? -143.83 157.44 44.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 111.031 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.512 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 1.9 m170 87.82 9.15 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.637 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 162.17 -166.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.849 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 66.5 t -132.36 80.18 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 86' ' ' LYS . 77.2 m-20 -71.8 76.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.1 p -37.2 -48.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.411 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -40.94 -45.61 2.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.991 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -69.55 -62.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.43 HD11 ' HE2' ' A' ' 44' ' ' PHE . 16.4 tp -40.6 -67.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -42.09 -51.33 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.259 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -51.67 -45.37 63.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 91' ' ' LEU . 62.2 mm-40 -64.75 -58.8 5.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.671 HD21 ' HD2' ' A' ' 44' ' ' PHE . 16.0 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.454 HD13 ' O ' ' A' ' 42' ' ' ASP . 21.1 mt -118.03 157.09 49.49 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.439 ' HB2' ' CD2' ' A' ' 72' ' ' LEU . 18.4 Cg_endo -75.0 157.78 42.57 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.47 1.773 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.2 t -101.31 102.04 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.827 HD23 HD13 ' A' ' 46' ' ' LEU . 6.7 tp -85.02 110.08 18.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.2 m -81.28 104.93 12.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.438 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.739 HD23 ' HG3' ' A' ' 48' ' ' GLU . 6.9 tp -95.78 124.96 40.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.787 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 61.3 m-85 -108.88 98.87 8.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.42 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -108.84 164.87 12.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.42 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.742 ' HG2' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.42 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 94.6 m -78.52 -59.34 2.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 108.289 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.75 -53.59 14.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -56.33 -52.71 63.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 110.298 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.703 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -38.47 -57.46 1.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.564 ' CG ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -45.99 -50.88 14.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 32' ' ' GLU . 7.8 mt-10 -53.93 -27.28 29.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' ALA . 14.3 t -80.6 -19.21 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.536 HD11 ' CE2' ' A' ' 70' ' ' PHE . 17.0 mt -101.71 14.26 32.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.513 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -63.66 -51.13 68.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.248 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.0 Cg_endo -75.04 0.71 8.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.769 . . . . 0.0 111.004 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.468 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 81.9 m-85 -121.5 7.9 10.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -34.09 74.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.454 ' O ' HD13 ' A' ' 16' ' ' LEU . 2.1 t0 -93.67 -16.25 24.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.416 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 10.6 mmp_? -67.89 -11.37 58.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.793 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.9 p90 178.35 175.15 0.57 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.137 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.6 mt -90.58 100.72 11.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.827 HD13 HD23 ' A' ' 19' ' ' LEU . 42.8 tp -76.19 106.52 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 21' ' ' LEU . 5.5 tt0 -93.83 98.27 10.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.739 ' HG3' HD23 ' A' ' 21' ' ' LEU . 3.8 mt-10 -79.09 106.47 11.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.443 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 76.2 t -99.06 127.39 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.626 ' HB3' HD23 ' A' ' 53' ' ' LEU . 2.8 m-20 -85.97 102.55 13.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.852 HD12 ' CD2' ' A' ' 60' ' ' TYR . 7.4 pt -80.28 0.42 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.713 ' C ' HD22 ' A' ' 53' ' ' LEU . 1.6 p -87.92 20.09 3.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.379 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.713 HD22 ' C ' ' A' ' 52' ' ' THR . 2.2 mm? -117.34 160.05 39.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -27.93 9.6 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.465 1.771 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 6.8 pt-20 -68.95 -38.99 79.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 23.5 m-20 -99.62 6.49 45.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.343 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' ASN . 2.5 t -38.84 -32.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 56' ' ' ASN . 2.2 m -62.78 -57.4 11.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.433 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.787 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 76.8 m95 -46.08 -37.47 6.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 108.044 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.852 ' CD2' HD12 ' A' ' 51' ' ' ILE . 30.8 t80 -74.92 -53.74 8.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.441 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 2.2 mt-10 -50.91 -22.35 2.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.628 ' NE ' ' CE2' ' A' ' 63' ' ' TYR . 9.1 ptm180 -99.54 -28.98 12.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.628 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 21.9 m-85 -136.28 68.84 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -103.14 -14.78 16.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.437 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 3.9 p90 -138.09 10.71 2.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.467 ' HB3' ' NE2' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -122.97 31.02 6.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.742 HD12 ' HG2' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -106.35 164.19 15.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.574 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.2 Cg_endo -74.99 152.24 97.95 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.962 -2.516 . . . . 0.0 111.024 -0.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.55 HG21 ' CG ' ' A' ' 63' ' ' TYR . 71.9 t -107.43 151.69 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 1.01 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 96.4 m-85 -137.81 113.66 9.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.551 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 24.7 m170 -108.58 117.22 33.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.576 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -100.25 114.88 28.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.35 29.69 4.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.36 34.06 58.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.82 116.35 8.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.551 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.7 OUTLIER -37.62 106.87 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.689 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -86.98 -44.17 11.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.538 ' HE2' HD21 ' A' ' 77' ' ' LEU . 7.8 ptt? -174.46 149.42 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.496 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 2.6 ptt? -143.67 159.93 41.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.496 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 3.2 m170 87.79 9.94 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.597 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 1.4 mtt180 159.33 -168.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.353 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 1.01 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 17.9 t -127.37 79.58 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.9 m120 -71.51 76.14 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.7 p -38.11 -52.18 1.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.438 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.35 -43.46 1.76 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -69.55 -61.85 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.506 HD11 ' CE2' ' A' ' 44' ' ' PHE . 12.5 tp -39.91 -66.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -43.04 -56.35 3.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.3 -43.32 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 91' ' ' LEU . 34.6 mm-40 -69.61 -56.02 8.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.793 HD21 ' HD2' ' A' ' 44' ' ' PHE . 17.2 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.7 mt -107.06 157.1 36.17 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 161.14 39.09 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.0 t -103.81 111.26 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.253 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.661 HD11 HD23 ' A' ' 77' ' ' LEU . 7.5 tp -93.3 110.85 22.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -78.98 104.36 9.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.375 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.583 HD12 ' N ' ' A' ' 22' ' ' PHE . 2.1 tp -98.53 120.06 38.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.692 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 65.2 m-85 -109.91 100.82 9.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.479 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -107.75 164.56 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.408 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.909 ' HG2' HD12 ' A' ' 67' ' ' ILE . 2.0 ptmt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 29' ' ' LEU . 1.9 mp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.479 ' HB2' ' CB ' ' A' ' 23' ' ' THR . 9.3 p -41.74 -39.0 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.358 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.426 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 0.7 OUTLIER -66.2 -61.68 1.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.728 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -53.47 -53.35 52.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.75 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -38.66 -63.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' LEU . 5.4 mtpm? -45.5 -53.39 8.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 2.6 mt-10 -52.47 -28.13 19.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 32' ' ' GLU . 16.7 t -79.78 -22.38 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.573 HD11 ' CE2' ' A' ' 70' ' ' PHE . 13.7 mt -96.84 15.82 21.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.503 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -63.96 -50.85 67.68 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -74.98 0.35 9.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.571 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 71.1 m-85 -125.44 30.12 5.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -88.79 -13.9 38.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.18 -14.54 13.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.605 ' HD2' HD13 ' A' ' 91' ' ' LEU . 0.6 OUTLIER -73.76 -12.69 60.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.709 ' HD2' HD21 ' A' ' 91' ' ' LEU . 4.2 p90 -173.93 176.67 2.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.9 mt -94.82 101.78 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.655 HD13 HD23 ' A' ' 19' ' ' LEU . 40.5 tp -71.4 107.89 4.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -94.94 98.57 10.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.338 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.486 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -81.36 108.85 15.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.553 HG11 ' HE1' ' A' ' 22' ' ' PHE . 76.8 t -103.18 125.05 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.582 ' CB ' HD23 ' A' ' 53' ' ' LEU . 12.2 m-20 -85.18 102.62 13.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.895 HD12 ' CD2' ' A' ' 60' ' ' TYR . 7.7 pt -80.88 -2.2 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.586 ' C ' HD22 ' A' ' 53' ' ' LEU . 41.2 p -81.74 6.92 13.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.598 HD22 ' N ' ' A' ' 53' ' ' LEU . 0.8 OUTLIER -104.79 159.01 30.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.418 ' HA ' ' HB2' ' A' ' 57' ' ' SER . 18.3 Cg_endo -75.03 -28.33 9.21 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.501 1.79 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 6.5 pt-20 -66.08 -38.74 89.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 25.7 m-20 -99.55 7.59 45.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 56' ' ' ASN . 33.3 t -37.52 -33.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 56' ' ' ASN . 4.4 m -63.65 -54.44 35.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.692 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 58.0 m95 -48.07 -32.59 6.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 107.998 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.895 ' CD2' HD12 ' A' ' 51' ' ' ILE . 24.2 t80 -81.84 -52.98 6.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.433 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 2.1 mt-10 -51.44 -20.98 2.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.57 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 11.2 ptm180 -99.42 -31.7 11.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.277 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.57 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 27.2 m-85 -134.32 71.13 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.962 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -105.09 -11.68 16.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -138.65 11.26 2.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.499 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -123.97 29.19 6.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.909 HD12 ' HG2' ' A' ' 24' ' ' LYS . 0.6 OUTLIER -107.62 162.37 20.0 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.529 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.4 Cg_endo -75.0 148.05 90.79 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.956 -2.519 . . . . 0.0 111.019 -0.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 66' ' ' ASP . 54.9 t -105.63 152.66 7.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.869 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 96.5 m-85 -137.32 118.26 14.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.56 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 35.6 m170 -112.34 117.46 32.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.592 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.528 ' HG ' HD13 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -101.22 115.32 30.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 69.32 28.99 4.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.89 35.41 54.35 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.16 120.37 9.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.56 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -40.81 106.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.661 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -86.24 -42.67 13.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.559 ' HE2' HD21 ' A' ' 77' ' ' LEU . 9.0 ptt? -176.48 149.21 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.521 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 2.9 ptt? -144.65 157.07 44.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.521 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 3.0 m170 87.52 10.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.6 OUTLIER 162.15 -167.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.869 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 12.8 t -137.01 88.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.6 m120 -83.21 82.3 8.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 83' ' ' ASN . 12.8 p -37.06 -53.72 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 110.374 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.5 t -39.82 -47.81 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -65.0 -61.75 1.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.7 tp -40.23 -65.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -40.76 -57.92 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.21 -56.02 2.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.083 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -58.93 -53.8 54.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.709 HD21 ' HD2' ' A' ' 44' ' ' PHE . 33.1 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.4 mt -108.72 157.51 36.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 179.43 6.09 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.1 t -121.76 113.02 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.894 HD23 HD13 ' A' ' 46' ' ' LEU . 8.4 tp -96.67 111.53 23.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 m -81.19 101.66 9.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.637 HD23 ' HG3' ' A' ' 48' ' ' GLU . 6.2 tp -96.23 122.23 38.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.702 ' HE1' HG11 ' A' ' 49' ' ' VAL . 72.1 m-85 -111.51 103.89 12.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.473 HG21 ' HE3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -114.45 171.76 7.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.379 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.591 ' HG2' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.4 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.43 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 82.1 m -41.63 -67.03 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 108.294 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' CYS . 3.0 m-20 -40.13 -58.37 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -53.19 -56.33 17.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.634 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -36.68 -58.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.526 ' CG ' HD21 ' A' ' 21' ' ' LEU . 6.8 mttt -46.5 -50.6 16.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 32' ' ' GLU . 7.7 mt-10 -53.77 -26.49 23.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 33' ' ' ALA . 14.8 t -81.88 -19.29 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.574 HD11 ' CE2' ' A' ' 70' ' ' PHE . 14.5 mt -100.91 -2.88 30.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -48.0 -51.81 45.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.343 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -74.94 -1.07 10.72 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.462 1.77 . . . . 0.0 111.0 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.575 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 96.2 m-85 -120.89 24.18 10.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 10.4 mtpt -81.92 -40.85 21.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.43 -13.19 52.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.485 ' HD2' HD13 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -70.8 -25.25 62.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.746 ' HD2' HD21 ' A' ' 91' ' ' LEU . 5.6 p90 -164.54 -172.26 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.8 mt -100.63 98.98 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.894 HD13 HD23 ' A' ' 19' ' ' LEU . 44.7 tp -75.22 107.59 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 21' ' ' LEU . 5.3 tt0 -93.62 98.48 11.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.637 ' HG3' HD23 ' A' ' 21' ' ' LEU . 3.9 mt-10 -80.6 101.97 9.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.702 HG11 ' HE1' ' A' ' 22' ' ' PHE . 76.2 t -90.74 138.45 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.406 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 1.0 OUTLIER -97.43 103.14 15.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.776 HD12 ' CD2' ' A' ' 60' ' ' TYR . 13.0 pt -82.52 -14.52 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.452 HG22 ' HB2' ' A' ' 24' ' ' LYS . 69.3 p -71.12 -5.6 32.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.431 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.8 mt -83.55 160.38 59.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -39.88 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -65.91 -39.29 90.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.424 ' C ' ' N ' ' A' ' 58' ' ' THR . 83.7 m-20 -88.34 5.98 39.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.4 t -42.94 -27.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.995 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.424 ' N ' ' C ' ' A' ' 56' ' ' ASN . 1.9 m -65.54 -58.96 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.631 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 59.9 m95 -44.69 -33.5 1.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.776 ' CD2' HD12 ' A' ' 51' ' ' ILE . 29.5 t80 -78.96 -53.02 7.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -53.43 -18.82 2.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.604 ' NE ' ' CE2' ' A' ' 63' ' ' TYR . 9.3 ptm180 -102.34 -30.11 11.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.604 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 28.4 m-85 -138.82 76.24 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 4.5 pttt -114.6 -3.25 12.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -139.48 12.18 2.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 67' ' ' ILE . 2.1 m-20 -114.64 -41.58 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.685 ' CD1' HD11 ' A' ' 51' ' ' ILE . 1.7 pt -36.86 155.41 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.99 130.83 22.32 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.012 -0.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.557 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 98.1 t -97.4 138.97 20.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.951 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 88.6 m-85 -122.91 119.64 31.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.579 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 41.4 m170 -114.82 117.23 30.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.608 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.45 ' HG ' ' CD1' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -105.44 121.6 44.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 62.19 50.76 3.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 50.49 41.35 41.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.95 121.71 5.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.295 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.579 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.9 OUTLIER -44.15 108.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.7 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -83.74 -45.75 13.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.439 ' HE2' HD21 ' A' ' 77' ' ' LEU . 8.8 ptt? -174.76 149.78 1.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.579 ' HG3' ' CE1' ' A' ' 80' ' ' HIS . 5.4 ptp -145.96 163.17 36.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 111.067 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.579 ' CE1' ' HG3' ' A' ' 79' ' ' MET . 6.7 m170 87.91 9.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.635 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 158.19 -170.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 110.272 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.951 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 12.4 t -125.87 89.37 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 86' ' ' LYS . 38.4 m-20 -87.81 79.72 8.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 85' ' ' SER . 66.6 p -37.07 -57.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.377 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.3 OUTLIER -37.06 -42.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.991 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -70.2 -54.91 10.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.54 HD11 HD11 ' A' ' 91' ' ' LEU . 3.8 tp -50.03 -64.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.409 ' HA ' HD12 ' A' ' 91' ' ' LEU . 5.1 mt-10 -42.11 -52.77 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -46.84 -55.52 7.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 91' ' ' LEU . 24.6 mm-40 -55.38 -56.08 24.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.746 HD21 ' HD2' ' A' ' 44' ' ' PHE . 16.9 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.0 mt -95.71 157.29 36.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.359 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 164.83 32.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.5 t -108.08 110.16 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.708 HD11 HD23 ' A' ' 77' ' ' LEU . 8.7 tp -95.24 113.83 25.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -80.8 109.44 15.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.359 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.665 ' HB2' HD11 ' A' ' 46' ' ' LEU . 1.2 tp -102.49 118.84 37.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.68 ' HE1' HG11 ' A' ' 49' ' ' VAL . 67.2 m-85 -108.25 102.02 11.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -108.79 168.7 9.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.929 ' HG2' HD12 ' A' ' 67' ' ' ILE . 3.3 ptmt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.4 mt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 31' ' ' ASP . 11.7 p -44.39 -41.89 6.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 108.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.467 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 2.1 m-20 -56.82 -64.33 0.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.941 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.5 tt0 -49.06 -53.64 19.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.743 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -40.56 -64.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 37' ' ' LEU . 26.3 mttt -46.77 -52.04 14.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -53.49 -25.9 18.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.941 HG23 ' O ' ' A' ' 32' ' ' GLU . 5.1 t -82.45 -19.3 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.537 HD11 ' CE2' ' A' ' 70' ' ' PHE . 14.3 mt -99.89 -3.65 31.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.486 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -47.82 -52.63 37.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.2 Cg_endo -74.98 1.95 7.16 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.572 1.827 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.561 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 93.8 m-85 -121.61 11.54 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 5.1 mmtm -65.71 -50.95 63.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.77 -10.4 59.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -69.95 -30.85 68.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.631 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 1.6 p90 -161.2 -175.6 4.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.9 mt -97.05 99.83 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.665 HD11 ' HB2' ' A' ' 21' ' ' LEU . 41.2 tp -74.16 107.41 6.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -93.88 98.58 11.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -79.19 105.92 10.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.68 HG11 ' HE1' ' A' ' 22' ' ' PHE . 76.5 t -97.91 126.99 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -87.3 103.02 15.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.255 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.732 HG22 ' HB3' ' A' ' 59' ' ' TRP . 19.7 pt -80.96 -16.15 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.5 p -69.63 -13.46 62.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.8 mt -74.03 158.13 86.13 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -37.74 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -72.25 -18.72 61.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -108.53 7.0 26.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.369 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.6 t -46.43 -31.52 2.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.557 1.16 . . . . 0.0 109.982 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.6 m -62.49 -49.79 74.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.732 ' HB3' HG22 ' A' ' 51' ' ' ILE . 25.8 m95 -54.32 -32.56 56.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 107.969 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.637 ' CD2' HD12 ' A' ' 51' ' ' ILE . 38.0 t80 -80.16 -55.56 4.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 111.052 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -46.58 -30.27 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.576 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -90.4 -35.13 15.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.576 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 27.4 m-85 -130.83 70.56 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -104.44 -17.24 14.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -132.52 9.54 4.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.507 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -121.92 29.86 6.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.929 HD12 ' HG2' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -109.17 162.4 20.23 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.527 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.2 Cg_endo -75.05 149.16 93.29 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.974 0.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.567 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 64.6 t -106.27 153.77 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.762 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 94.6 m-85 -137.92 121.39 17.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.567 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 35.8 m170 -113.68 118.63 34.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 109.584 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.539 ' HG ' HD13 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -101.18 115.58 30.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.22 28.51 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.03 39.57 45.45 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.563 1.164 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.03 121.22 6.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 110.318 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.469 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.7 OUTLIER -39.11 111.29 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.708 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -93.74 -41.79 9.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.4 ' HE2' HD21 ' A' ' 77' ' ' LEU . 9.6 ptt? -176.25 148.26 0.77 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.509 ' SD ' ' NE2' ' A' ' 80' ' ' HIS . 2.4 ptt? -143.94 155.36 44.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.509 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 1.7 m170 87.52 9.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.612 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.438 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 3.6 mtt85 163.24 -167.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.243 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.762 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 82.4 t -135.69 83.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.9 m120 -75.9 80.31 2.8 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' ASN . 3.4 p -36.97 -53.28 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.07 -47.63 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.977 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER -66.5 -61.61 1.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.8 tp -42.45 -66.82 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -42.65 -53.17 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.66 -42.47 56.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -67.86 -46.46 71.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 92.0 mt . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.2 mt -87.46 157.32 53.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 162.09 37.79 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.2 t -103.67 124.77 58.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.664 HD11 HD23 ' A' ' 77' ' ' LEU . 7.2 tp -110.8 113.52 26.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 m -79.96 114.2 18.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.619 HD12 ' N ' ' A' ' 22' ' ' PHE . 2.2 tp -107.57 121.74 45.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.624 ' HE1' HG11 ' A' ' 49' ' ' VAL . 64.5 m-85 -111.48 99.22 8.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.463 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -111.75 172.33 6.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.517 ' HG2' HD12 ' A' ' 67' ' ' ILE . 1.4 pttt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 57.7 m -41.74 -66.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 108.354 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -41.32 -54.99 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.457 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.5 tt0 -54.39 -53.44 54.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.747 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -37.55 -59.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.51 ' CG ' HD21 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -45.96 -51.22 13.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -53.41 -28.65 30.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 32' ' ' GLU . 16.7 t -79.83 -20.97 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.588 HD11 ' CE2' ' A' ' 70' ' ' PHE . 15.1 mt -99.01 16.79 21.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.514 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -65.12 -50.86 58.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.06 0.92 8.35 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.467 1.772 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.51 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 75.8 m-85 -123.26 7.06 9.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.94 -32.48 73.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.32 -15.05 23.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.252 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.446 ' CG ' ' HA ' ' A' ' 40' ' ' TYR . 6.0 mmp_? -69.26 -9.15 51.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.553 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 3.7 p90 178.5 -179.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.2 mt -96.17 99.7 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.629 HD13 HD23 ' A' ' 19' ' ' LEU . 56.7 tp -71.67 111.32 6.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.13 102.89 15.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -83.47 98.89 9.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.264 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.624 HG11 ' HE1' ' A' ' 22' ' ' PHE . 87.8 t -92.54 132.48 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.14 103.39 15.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.787 HD12 ' CD2' ' A' ' 60' ' ' TYR . 13.9 pt -81.96 -14.96 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.461 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 73.5 p -69.67 -6.07 29.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.401 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.9 mt -86.09 158.18 55.94 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -37.81 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.464 1.771 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.55 -26.74 68.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -104.12 7.22 36.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.1 t -40.11 -34.62 0.31 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.556 ' CG2' ' NH2' ' A' ' 62' ' ' ARG . 1.2 m -62.24 -56.92 13.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 110.418 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.6 ' HB3' HG22 ' A' ' 51' ' ' ILE . 23.0 m95 -45.11 -36.97 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 107.984 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.787 ' CD2' HD12 ' A' ' 51' ' ' ILE . 27.7 t80 -79.6 -48.22 14.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.22 -17.48 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.568 ' HD2' ' CE2' ' A' ' 63' ' ' TYR . 1.7 ptp180 -105.58 -28.39 10.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.568 ' CE2' ' HD2' ' A' ' 62' ' ' ARG . 24.4 m-85 -136.46 74.64 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.577 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 0.9 OUTLIER -113.27 -10.31 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.419 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 1.0 OUTLIER -133.75 6.54 3.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.691 ' HB3' ' HE2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -106.7 -46.71 3.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.689 HD13 ' CD1' ' A' ' 51' ' ' ILE . 4.9 pt -35.6 156.53 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.4 Cg_endo -74.95 133.2 30.31 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.003 -0.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.572 HG22 ' HB2' ' A' ' 79' ' ' MET . 73.0 t -103.76 144.94 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.919 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 92.8 m-85 -127.59 125.1 39.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.564 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 41.9 m170 -115.95 121.66 42.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.596 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.466 ' HG ' HD13 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -109.1 120.28 42.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 65.27 37.65 6.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.21 36.92 94.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -148.53 120.6 8.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 110.281 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.508 ' CG ' ' O ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -41.1 106.27 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.098 . . . . 0.0 111.005 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.664 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -84.26 -46.12 12.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -175.73 151.41 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.622 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 4.1 ptt? -147.81 162.64 38.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.691 ' HE2' ' HB3' ' A' ' 66' ' ' ASP . 5.5 m170 87.1 9.25 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.558 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.4 OUTLIER 161.98 -167.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.919 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 40.2 t -133.49 81.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.9 m120 -78.78 81.14 5.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 83' ' ' ASN . 1.4 p -36.69 -55.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.1 -44.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 110.0 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER -67.82 -62.29 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 86' ' ' LYS . 8.9 tp -39.45 -66.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -43.64 -54.95 4.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.94 -53.62 6.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 86' ' ' LYS . 3.2 mp0 -56.5 -54.14 49.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.5 mt -105.81 157.33 34.92 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 163.62 34.96 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.47 1.774 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.0 t -106.76 115.54 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.736 HD23 HD13 ' A' ' 46' ' ' LEU . 7.9 tp -100.66 112.21 24.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -79.6 109.6 14.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.64 HD23 ' HG3' ' A' ' 48' ' ' GLU . 5.7 tp -103.01 122.18 44.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.24 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.632 ' HE1' HG11 ' A' ' 49' ' ' VAL . 70.9 m-85 -110.38 99.52 8.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.481 HG21 ' HE3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -105.43 172.23 6.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.408 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.615 ' HG2' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 30' ' ' CYS . 10.4 mp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 59.7 m -41.75 -41.4 2.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 108.283 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -65.23 -61.48 2.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.557 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -51.98 -48.21 64.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.339 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.776 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -37.79 -61.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.524 ' HG2' HD21 ' A' ' 21' ' ' LEU . 1.1 mttt -46.44 -50.59 16.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -54.76 -26.98 37.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 32' ' ' GLU . 18.0 t -82.91 -19.8 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.582 HD11 ' CE2' ' A' ' 70' ' ' PHE . 14.0 mt -99.55 2.39 44.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.481 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -51.18 -52.77 55.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.05 -0.6 10.19 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.415 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 96.6 m-85 -119.06 19.97 12.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 44' ' ' PHE . 78.4 mttt -77.91 -53.73 7.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -72.96 -12.9 61.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.541 ' CZ ' ' HA ' ' A' ' 43' ' ' ARG . 0.5 OUTLIER -67.44 -48.72 66.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.088 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.831 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.6 p90 -142.03 -174.66 4.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.6 mt -96.1 99.17 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.736 HD13 HD23 ' A' ' 19' ' ' LEU . 41.1 tp -75.54 107.61 7.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -93.76 98.22 10.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.64 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -78.81 105.37 10.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.632 HG11 ' HE1' ' A' ' 22' ' ' PHE . 89.3 t -96.79 130.69 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.465 ' HB2' HD12 ' A' ' 53' ' ' LEU . 2.5 m-20 -91.49 102.66 15.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.7 HD11 ' CD1' ' A' ' 67' ' ' ILE . 17.3 pt -80.0 -23.7 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 13.3 p -61.59 -13.66 23.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.385 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 50' ' ' ASP . 60.9 mt -76.25 158.41 81.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -44.58 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.07 -16.85 62.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -112.31 6.95 19.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.4 t -48.77 -23.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.9 m -69.49 -41.81 75.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.4 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.631 ' HB3' HG22 ' A' ' 51' ' ' ILE . 43.5 m95 -63.41 -30.72 71.81 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.662 ' CD2' HD12 ' A' ' 51' ' ' ILE . 36.4 t80 -82.98 -51.31 7.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -51.74 -20.31 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.527 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 12.8 ptm180 -102.01 -32.5 10.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.267 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.527 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 21.9 m-85 -133.5 74.71 1.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 1.1 pttt -112.83 -7.41 13.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -135.88 15.29 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.655 ' HB3' ' HE2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -114.87 -45.73 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.7 ' CD1' HD11 ' A' ' 51' ' ' ILE . 1.1 pt -35.53 155.64 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.98 131.6 24.76 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.038 -2.484 . . . . 0.0 111.008 -0.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.574 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 92.7 t -101.03 143.57 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.915 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 93.5 m-85 -127.61 121.99 31.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.574 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 42.8 m170 -115.25 119.37 36.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.63 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.466 ' HG ' HD13 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -106.23 120.65 42.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 62.58 53.47 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 48.68 41.02 26.2 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -155.06 119.65 4.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.756 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.572 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -41.35 116.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.724 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -93.17 -43.04 9.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -178.52 151.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.62 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 4.0 ptt? -149.18 162.93 39.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.655 ' HE2' ' HB3' ' A' ' 66' ' ' ASP . 5.5 m170 87.77 10.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.601 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.459 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 161.58 -169.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.915 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 40.4 t -132.67 83.57 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 86' ' ' LYS . 4.6 m-20 -85.79 80.43 8.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 83' ' ' ASN . 32.5 p -36.24 -50.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.3 OUTLIER -38.54 -46.61 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -68.13 -59.58 3.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.508 HD21 ' HE2' ' A' ' 44' ' ' PHE . 9.6 tp -45.95 -65.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.65 -53.37 2.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -45.88 -54.04 8.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 91' ' ' LEU . 34.3 mm-40 -58.82 -54.77 43.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.831 HD21 ' HD2' ' A' ' 44' ' ' PHE . 20.6 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.1 mt -90.1 157.36 45.63 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.098 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 154.18 42.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.449 1.763 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -98.52 110.25 25.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.749 HD11 HD23 ' A' ' 77' ' ' LEU . 7.1 tp -94.71 112.07 23.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -79.35 115.48 19.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 110.406 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.589 HD21 ' CG ' ' A' ' 34' ' ' LYS . 8.6 tp -111.14 122.87 49.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.792 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 83.5 m-85 -111.35 109.81 19.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -121.51 157.82 29.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.35 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.641 ' HD3' HD11 ' A' ' 67' ' ' ILE . 1.4 ptmt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.446 ' C ' ' N ' ' A' ' 31' ' ' ASP . 16.2 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 57.1 m -43.34 -28.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 108.291 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.446 ' N ' ' C ' ' A' ' 29' ' ' LEU . 2.0 t0 -71.59 -50.72 28.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.669 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -68.13 -43.57 78.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.671 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -40.96 -59.26 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.589 ' CG ' HD21 ' A' ' 21' ' ' LEU . 3.8 mtpm? -46.76 -51.11 17.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -54.73 -25.57 28.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 32' ' ' GLU . 11.3 t -82.1 -18.49 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.582 HD11 ' CE1' ' A' ' 70' ' ' PHE . 15.0 mt -100.69 -1.12 36.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -49.8 -51.96 55.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.4 Cg_endo -74.96 0.11 9.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.467 1.772 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.449 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 97.7 m-85 -118.71 13.43 13.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 44' ' ' PHE . 2.0 mtpt -69.59 -50.84 40.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.16 -8.01 56.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -73.79 -36.04 64.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.841 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.4 p90 -156.32 -175.64 5.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.9 mt -96.14 99.64 9.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.645 HD13 HD23 ' A' ' 19' ' ' LEU . 42.5 tp -75.76 106.99 7.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -93.62 98.16 10.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.243 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.556 ' HG3' HD23 ' A' ' 21' ' ' LEU . 1.1 mt-10 -79.62 105.39 10.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.709 HG11 ' HE1' ' A' ' 22' ' ' PHE . 96.1 t -93.42 142.85 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.44 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -102.83 102.92 13.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.714 HG22 ' HB3' ' A' ' 59' ' ' TRP . 24.6 pt -79.91 -17.49 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 36.1 p -69.49 -7.14 35.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.7 mt -82.6 160.04 62.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -39.86 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -74.22 -12.24 60.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 93.7 m-20 -113.41 7.18 17.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.3 t -51.91 -20.78 2.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 m -74.07 -36.9 64.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.393 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.792 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 74.7 m95 -70.13 -12.97 61.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 107.995 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.597 ' CD2' HD12 ' A' ' 51' ' ' ILE . 32.4 t80 -95.0 -57.18 2.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.72 -20.28 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.256 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.569 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 11.0 ptm180 -97.17 -32.04 12.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.569 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 23.4 m-85 -136.58 69.98 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.7 OUTLIER -106.18 -13.81 15.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -140.35 12.28 2.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.442 ' HB3' ' NE2' ' A' ' 80' ' ' HIS . 0.7 OUTLIER -123.45 27.7 7.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.641 HD11 ' HD3' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -103.47 163.92 16.48 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.584 ' HA ' HG22 ' A' ' 67' ' ' ILE . 18.2 Cg_endo -75.04 151.93 97.5 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.975 0.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.563 HG21 ' CG ' ' A' ' 63' ' ' TYR . 57.6 t -107.3 149.17 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.966 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 97.7 m-85 -137.37 118.05 14.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 36.0 m170 -112.4 118.76 36.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.593 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.522 ' HG ' HD13 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -105.27 115.44 30.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.53 29.37 3.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.31 37.5 63.07 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.075 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 76' ' ' PHE . 2.0 mt-30 -149.13 116.0 5.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 0.73 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.558 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -36.45 104.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 111.032 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.749 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -82.67 -42.1 18.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.499 ' HE2' HD21 ' A' ' 77' ' ' LEU . 9.3 ptt? -177.71 150.16 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.539 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 3.3 ptt? -144.74 160.47 41.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.539 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 4.1 m170 87.85 9.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.622 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 158.47 -169.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.966 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 10.3 t -128.46 87.87 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 84' ' ' THR . 29.9 m-20 -82.38 78.39 9.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.087 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 83' ' ' ASN . 78.0 p -36.61 -50.79 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.425 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.1 m -40.38 -49.59 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -65.94 -57.67 7.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.423 HD11 ' CE2' ' A' ' 44' ' ' PHE . 13.2 tp -46.93 -64.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -43.77 -54.9 4.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -46.97 38.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 91' ' ' LEU . 38.9 mm-40 -62.81 -57.73 9.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.841 HD21 ' HD2' ' A' ' 44' ' ' PHE . 18.9 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.5 mt -108.72 157.8 35.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 157.95 42.23 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.557 1.82 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.1 t -100.64 112.29 32.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.896 HD23 HD13 ' A' ' 46' ' ' LEU . 6.1 tp -95.91 112.95 24.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -79.97 118.51 21.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.41 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.677 HD23 ' HG3' ' A' ' 48' ' ' GLU . 5.1 tp -113.38 123.85 51.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.647 ' CE1' HG11 ' A' ' 49' ' ' VAL . 66.3 m-85 -111.41 106.79 15.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.09 160.83 21.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.444 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.564 ' HD3' HD11 ' A' ' 67' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.497 ' N ' HD12 ' A' ' 29' ' ' LEU . 5.3 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 29' ' ' LEU . 37.5 m -41.41 -30.03 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 108.29 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.442 ' N ' ' C ' ' A' ' 29' ' ' LEU . 4.7 m-20 -72.69 -53.36 11.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.704 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -65.14 -41.23 94.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.267 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.737 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -43.2 -59.23 2.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.49 ' CG ' HD21 ' A' ' 21' ' ' LEU . 4.9 mtpm? -46.35 -50.11 16.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -55.4 -28.94 57.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 32' ' ' GLU . 8.9 t -79.53 -17.28 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.559 HD11 ' CE2' ' A' ' 70' ' ' PHE . 16.0 mt -103.23 -6.93 21.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.512 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -46.91 -50.96 42.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.2 Cg_endo -75.06 2.77 6.29 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.571 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 97.1 m-85 -121.91 6.83 9.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -60.5 -41.4 94.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.83 -14.55 44.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -70.27 -20.5 63.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.749 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.9 p90 -172.71 177.48 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.06 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.6 mt -92.6 100.73 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.896 HD13 HD23 ' A' ' 19' ' ' LEU . 39.3 tp -76.58 108.53 9.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -93.57 98.22 11.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.677 ' HG3' HD23 ' A' ' 21' ' ' LEU . 2.1 mt-10 -80.25 106.41 12.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.647 HG11 ' CE1' ' A' ' 22' ' ' PHE . 76.4 t -93.93 143.27 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.92 102.39 12.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.699 HG22 ' HB3' ' A' ' 59' ' ' TRP . 21.5 pt -76.98 -24.04 15.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.8 p -60.33 -14.03 16.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.398 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.2 mt -74.63 153.18 87.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -32.71 5.14 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -75.79 -11.3 59.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' SER . 96.5 m-20 -114.38 7.35 16.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.1 OUTLIER -39.54 -40.79 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -56.6 -53.11 61.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.359 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.699 ' HB3' HG22 ' A' ' 51' ' ' ILE . 24.9 m95 -47.81 -39.27 17.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.167 . . . . 0.0 108.006 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.616 ' CD2' HD12 ' A' ' 51' ' ' ILE . 8.0 t80 -77.07 -49.36 15.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.43 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 2.7 mt-10 -56.56 -16.6 6.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.328 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.654 ' NH1' ' CZ3' ' A' ' 59' ' ' TRP . 6.0 ptp180 -105.57 -28.45 10.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.227 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.568 ' CE2' ' HD2' ' A' ' 62' ' ' ARG . 19.1 m-85 -136.74 74.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.059 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.587 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -110.82 -18.32 13.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -134.76 10.46 3.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.517 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -120.62 29.61 7.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.564 HD11 ' HD3' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -108.41 162.16 20.92 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.526 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.5 Cg_endo -74.94 149.67 94.22 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.011 -0.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.578 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 73.6 t -107.46 152.83 8.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.969 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 96.9 m-85 -138.37 124.15 19.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.578 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 31.4 m170 -115.71 118.11 32.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.581 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.5 HD23 ' HA ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -104.5 111.39 24.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 73.21 28.87 1.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.97 40.61 56.81 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -151.92 119.8 6.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 0.746 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.429 ' O ' ' CG ' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -39.55 102.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.598 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -83.23 -42.93 16.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.591 ' HE2' HD21 ' A' ' 77' ' ' LEU . 8.8 ptt? -176.71 149.48 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.523 ' SD ' ' NE2' ' A' ' 80' ' ' HIS . 3.1 ptt? -144.79 158.17 43.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.523 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 3.4 m170 87.93 9.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.573 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 162.69 -170.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.969 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 21.3 t -129.61 84.14 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -75.4 77.65 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.8 p -38.08 -53.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.7 m -40.28 -52.72 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.977 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -61.76 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.5 tp -40.12 -68.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.448 ' HA ' HD12 ' A' ' 91' ' ' LEU . 1.8 mt-10 -42.85 -54.28 4.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.298 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.39 -48.31 7.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 91' ' ' LEU . 34.8 mm-40 -65.99 -52.6 47.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.749 HD21 ' HD2' ' A' ' 44' ' ' PHE . 27.9 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 42' ' ' ASP . 28.2 mt -100.54 157.07 34.43 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 163.21 35.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 84.4 t -106.22 113.77 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.741 HD11 HD23 ' A' ' 77' ' ' LEU . 5.7 tp -99.79 112.19 24.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -77.98 124.15 27.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.601 ' HB2' HD11 ' A' ' 46' ' ' LEU . 4.2 tp -117.54 122.25 43.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.813 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 81.0 m-85 -112.43 104.86 13.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.526 HG21 ' HE2' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -114.79 168.89 9.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.372 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.496 ' HD3' HD11 ' A' ' 67' ' ' ILE . 3.9 pttt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' GLU . 16.9 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.0 m -44.88 -37.13 3.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 108.248 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -63.6 -46.2 86.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -71.41 -46.63 59.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.732 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -37.38 -58.31 0.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.534 ' CG ' HD21 ' A' ' 21' ' ' LEU . 10.2 mttt -46.51 -50.19 17.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 32' ' ' GLU . 10.2 mt-10 -55.17 -27.76 48.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 32' ' ' GLU . 16.2 t -80.05 -18.3 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' A' ' 70' ' ' PHE . 16.7 mt -102.04 14.49 31.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.515 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -64.85 -50.94 60.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.03 2.1 7.02 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.471 ' HA ' ' CG ' ' A' ' 43' ' ' ARG . 85.7 m-85 -122.35 1.13 9.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -30.51 64.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.351 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.514 ' O ' HD13 ' A' ' 16' ' ' LEU . 10.4 t0 -94.4 -18.47 21.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.471 ' CG ' ' HA ' ' A' ' 40' ' ' TYR . 6.1 mmp_? -67.77 -11.54 58.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.722 ' HD2' HD21 ' A' ' 91' ' ' LEU . 3.0 p90 179.23 174.72 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.9 mt -92.25 100.11 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.643 HD13 HD23 ' A' ' 19' ' ' LEU . 58.4 tp -71.92 111.43 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.467 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.69 103.25 15.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 110.288 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.532 ' HG3' HD23 ' A' ' 21' ' ' LEU . 1.5 mt-10 -83.23 100.11 10.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.657 HG11 ' HE1' ' A' ' 22' ' ' PHE . 91.5 t -93.88 137.28 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -97.64 102.85 14.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.593 HD12 ' CD2' ' A' ' 60' ' ' TYR . 15.4 pt -78.11 -19.65 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 15.7 p -65.8 -9.49 28.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.362 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.0 mt -80.77 160.41 66.7 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -42.42 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.444 1.76 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.83 -24.85 65.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -101.29 7.49 42.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.5 t -50.67 -21.75 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -70.64 -46.64 62.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.381 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.813 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 80.6 m95 -63.57 -15.98 59.57 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.593 ' CD2' HD12 ' A' ' 51' ' ' ILE . 39.1 t80 -92.17 -56.86 2.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 34.5 mt-10 -51.76 -19.88 1.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.569 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 10.2 ptm180 -96.87 -35.57 10.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.569 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 22.4 m-85 -131.34 67.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.425 ' NZ ' ' HA ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -100.55 -14.98 17.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -139.85 11.7 2.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.519 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -121.95 34.07 5.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.543 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -109.0 162.77 18.8 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.543 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.96 150.4 95.4 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.996 -0.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.53 HG21 ' CG ' ' A' ' 63' ' ' TYR . 66.2 t -108.73 150.01 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.251 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.971 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 96.7 m-85 -137.49 117.79 13.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.148 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.568 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 27.7 m170 -110.24 119.74 40.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.584 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -105.09 118.2 35.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.411 HD22 HD22 ' A' ' 72' ' ' LEU . 9.8 m-80 62.61 54.49 2.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 49.76 41.25 35.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -156.08 120.72 4.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 110.318 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.568 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.2 OUTLIER -42.81 119.83 1.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.741 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -96.95 -44.65 6.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.606 ' HE2' HD21 ' A' ' 77' ' ' LEU . 7.8 ptt? -174.32 149.41 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.491 ' O ' ' CB ' ' A' ' 80' ' ' HIS . 2.3 ptt? -143.36 158.51 43.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.491 ' CB ' ' O ' ' A' ' 79' ' ' MET . 2.3 m170 87.97 10.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.614 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 3.2 mtt85 160.25 -169.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.342 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.971 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 15.8 t -129.68 80.46 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' THR . 23.9 m120 -74.04 77.92 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ASN . 80.5 p -37.8 -51.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.4 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.35 -47.37 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.991 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.36 -59.46 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.7 tp -42.12 -66.39 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -45.92 -52.54 11.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.27 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -50.3 -38.72 42.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 91' ' ' LEU . 69.6 mm-40 -72.78 -55.8 6.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.075 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.722 HD21 ' HD2' ' A' ' 44' ' ' PHE . 17.9 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.6 mt -89.56 157.31 47.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.454 ' HB2' ' CD2' ' A' ' 72' ' ' LEU . 18.4 Cg_endo -74.98 169.59 22.29 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.453 1.765 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -111.47 109.88 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.819 HD23 ' CD1' ' A' ' 46' ' ' LEU . 7.0 tp -93.86 110.07 21.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.1 m -81.26 101.07 9.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.352 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.586 ' HB2' HD11 ' A' ' 46' ' ' LEU . 3.5 tp -93.22 118.33 31.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.592 ' HE1' HG11 ' A' ' 49' ' ' VAL . 70.7 m-85 -105.48 100.94 10.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -117.76 173.53 6.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.437 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.521 ' HG2' HD12 ' A' ' 67' ' ' ILE . 1.9 ptmt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.542 ' N ' ' CD1' ' A' ' 29' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 29' ' ' LEU . 35.2 m -41.26 -42.73 2.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 108.333 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.4 -49.5 34.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.519 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -75.9 -48.29 21.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.553 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -37.94 -58.83 0.89 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -46.25 -51.52 14.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -54.03 -27.27 31.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 32' ' ' GLU . 14.3 t -79.59 -17.96 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.567 HD11 ' CE2' ' A' ' 70' ' ' PHE . 12.0 mt -100.73 14.06 32.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.503 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -62.78 -50.98 75.1 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -74.99 -4.69 15.78 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.503 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 88.6 m-85 -117.81 14.74 14.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -31.03 68.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -99.83 -14.12 18.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.479 ' CG ' ' HA ' ' A' ' 40' ' ' TYR . 5.4 mmp_? -65.89 -21.73 66.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.742 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.6 p90 -168.09 -179.23 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.4 mt -95.04 99.55 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.819 ' CD1' HD23 ' A' ' 19' ' ' LEU . 36.4 tp -75.47 106.03 6.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' LEU . 10.5 tt0 -93.8 98.52 11.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -78.56 101.27 7.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.592 HG11 ' HE1' ' A' ' 22' ' ' PHE . 82.6 t -89.61 138.9 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.413 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 37.1 m-20 -96.24 103.28 15.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.754 HD11 ' CD1' ' A' ' 67' ' ' ILE . 14.7 pt -83.84 -11.01 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 60.4 p -75.78 -6.29 49.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.41 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.3 mt -83.47 159.86 60.55 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.89 2.31 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.483 1.78 . . . . 0.0 111.033 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -72.63 -22.31 60.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 88.8 m-20 -105.93 0.39 25.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.5 t -44.72 -27.27 0.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.1 m -64.48 -45.46 87.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.6 ' HB3' HG22 ' A' ' 51' ' ' ILE . 52.9 m95 -61.44 -27.5 68.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 107.999 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.656 ' CD2' HD12 ' A' ' 51' ' ' ILE . 38.4 t80 -83.51 -53.61 5.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -50.78 -21.16 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.569 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 9.8 ptm180 -100.33 -33.37 10.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.569 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 23.1 m-85 -134.79 75.05 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 2.6 pttt -113.14 -7.6 13.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.415 ' CD2' ' HG3' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -135.63 12.36 3.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -112.18 -43.59 3.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.754 ' CD1' HD11 ' A' ' 51' ' ' ILE . 1.0 OUTLIER -35.94 155.15 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.4 Cg_endo -74.91 131.31 23.75 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.968 -2.513 . . . . 0.0 111.029 -0.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.599 HG12 ' CD2' ' A' ' 71' ' ' HIS . 92.5 t -103.32 123.43 56.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.876 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 93.5 m-85 -104.74 122.73 46.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.599 ' CD2' HG12 ' A' ' 69' ' ' VAL . 43.9 m170 -115.48 120.72 40.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.614 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -109.27 117.16 33.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 65.34 45.21 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.64 31.56 57.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -141.83 112.11 6.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.585 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -36.35 109.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.651 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -85.52 -44.75 12.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.1 ptt? -178.69 152.22 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.593 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 4.3 ptt? -149.31 160.67 43.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.593 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 5.1 m170 87.36 9.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.613 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.1 OUTLIER 163.68 -175.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.876 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 34.2 t -128.65 79.99 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.9 OUTLIER -80.57 81.97 6.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.261 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 85' ' ' SER . 18.0 p -37.42 -55.2 1.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.394 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.2 OUTLIER -36.11 -38.75 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.983 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -76.22 -60.99 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.469 HD11 HD11 ' A' ' 91' ' ' LEU . 5.5 tp -42.6 -64.54 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.546 ' HA ' HD12 ' A' ' 91' ' ' LEU . 3.6 mt-10 -43.55 -57.23 3.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.09 -55.64 5.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 91' ' ' LEU . 1.7 mp0 -53.27 -56.91 12.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.742 HD21 ' HD2' ' A' ' 44' ' ' PHE . 14.0 mt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 42' ' ' ASP . 63.5 mt -93.29 156.91 39.61 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 162.09 37.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.539 1.81 . . . . 0.0 110.947 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.5 t -104.56 122.25 57.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.754 HD11 HD23 ' A' ' 77' ' ' LEU . 7.2 tp -109.17 114.72 28.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -78.75 126.75 31.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.405 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.627 HD12 ' N ' ' A' ' 22' ' ' PHE . 2.4 tp -121.43 122.95 40.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.627 ' N ' HD12 ' A' ' 21' ' ' LEU . 78.3 m-85 -110.64 104.13 12.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.478 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 1.6 t -119.47 151.26 38.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.381 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.637 ' HD3' HD11 ' A' ' 67' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.449 ' C ' ' N ' ' A' ' 31' ' ' ASP . 3.9 mm? . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 35.2 m -41.03 -29.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 108.303 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.449 ' N ' ' C ' ' A' ' 29' ' ' LEU . 5.6 t70 -73.4 -57.06 4.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.573 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -63.45 -44.8 93.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.627 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -39.19 -59.62 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.564 ' CG ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -45.4 -52.0 10.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -53.73 -28.47 34.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 32' ' ' GLU . 13.9 t -78.75 -19.82 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.55 HD11 ' CE2' ' A' ' 70' ' ' PHE . 13.2 mt -99.08 18.32 17.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.509 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -67.03 -51.24 37.87 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.258 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -74.98 -0.46 9.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.555 1.818 . . . . 0.0 111.035 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.407 ' CE2' ' HG2' ' A' ' 39' ' ' PRO . 81.9 m-85 -120.69 6.92 10.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -34.69 78.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.501 ' O ' HD13 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -90.91 -18.18 25.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.428 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 12.4 mmp_? -65.87 -14.79 62.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.713 ' HD2' HD21 ' A' ' 91' ' ' LEU . 2.1 p90 -178.55 175.96 1.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.4 mt -92.68 99.78 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.641 HD13 HD23 ' A' ' 19' ' ' LEU . 55.3 tp -71.57 112.6 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.38 102.93 15.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.422 ' HG3' HD23 ' A' ' 21' ' ' LEU . 5.2 mt-10 -84.19 99.76 10.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.0 t -90.96 144.12 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.11 102.87 12.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.673 HG22 ' HB3' ' A' ' 59' ' ' TRP . 18.5 pt -77.67 -24.65 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 11.8 p -60.58 -14.19 18.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.3 mt -76.0 159.44 80.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -47.2 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.427 1.751 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -59.52 -24.29 63.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -103.86 7.08 36.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.0 t -42.63 -31.01 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.975 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.2 m -67.99 -50.69 54.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.376 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.673 ' HB3' HG22 ' A' ' 51' ' ' ILE . 21.6 m95 -49.14 -31.99 9.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 107.972 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.603 ' CD2' HD12 ' A' ' 51' ' ' ILE . 18.6 t80 -82.85 -50.93 8.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.432 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 4.6 mt-10 -53.49 -18.41 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.635 ' NH1' ' CZ3' ' A' ' 59' ' ' TRP . 9.6 ptp180 -103.26 -31.61 9.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.578 ' CE2' ' HD2' ' A' ' 62' ' ' ARG . 23.5 m-85 -134.3 74.4 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.586 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -110.68 -13.92 14.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.476 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 2.5 p90 -139.26 10.81 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.517 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -121.66 31.37 6.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.348 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.637 HD11 ' HD3' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -108.88 162.93 18.23 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.351 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -75.02 150.12 94.9 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.995 0.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.571 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 71.7 t -108.43 151.86 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.992 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 97.1 m-85 -137.76 123.13 19.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.571 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 35.1 m170 -114.79 122.23 45.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.606 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.521 ' HG ' HD13 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -107.35 113.58 27.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 66.54 54.42 0.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 50.33 41.35 39.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -156.26 121.84 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 110.299 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.496 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -43.99 120.83 2.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.989 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.754 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -98.25 -42.63 7.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.552 ' HE2' HD21 ' A' ' 77' ' ' LEU . 8.3 ptt? -176.46 150.2 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.503 ' SD ' ' NE2' ' A' ' 80' ' ' HIS . 2.1 ptt? -144.72 159.1 43.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.939 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.503 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 2.5 m170 88.19 9.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.584 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 4.6 mtt-85 160.46 -170.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.992 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 86.8 t -127.27 83.19 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 84' ' ' THR . 74.8 m-20 -73.99 74.73 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 83' ' ' ASN . 41.5 p -36.15 -55.52 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.378 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.3 OUTLIER -38.65 -47.47 1.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.041 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -66.58 -60.98 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.4 tp -42.19 -66.06 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -44.55 -54.99 5.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.03 -41.93 17.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 91' ' ' LEU . 37.8 mm-40 -69.27 -57.89 4.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.713 HD21 ' HD2' ' A' ' 44' ' ' PHE . 17.0 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.7 mt -96.19 157.11 36.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 164.03 34.11 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -107.06 114.72 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.761 HD11 HD23 ' A' ' 77' ' ' LEU . 7.0 tp -102.81 113.87 27.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 m -77.64 125.94 30.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.642 ' HB2' HD11 ' A' ' 46' ' ' LEU . 1.7 tp -118.26 119.52 34.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.611 ' N ' HD12 ' A' ' 21' ' ' LEU . 69.4 m-85 -109.1 100.59 9.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.462 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -112.39 173.54 6.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.703 ' HB2' HG22 ' A' ' 52' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.1 mt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.447 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 71.1 m -42.76 -61.06 1.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 108.314 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -44.77 -54.46 6.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -57.06 -54.24 49.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.339 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.758 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -36.61 -57.32 0.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.527 ' CG ' HD21 ' A' ' 21' ' ' LEU . 9.6 mtpt -46.8 -50.61 18.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' GLU . 9.2 mt-10 -54.23 -26.2 27.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 33' ' ' ALA . 12.1 t -82.7 -17.47 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.603 HD11 ' CE2' ' A' ' 70' ' ' PHE . 15.5 mt -102.4 0.31 33.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.49 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -50.33 -52.3 55.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.2 Cg_endo -74.98 0.6 8.7 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.511 1.795 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.403 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 98.0 m-85 -119.3 14.22 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 44' ' ' PHE . 14.1 mttt -70.85 -46.66 62.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.8 -9.66 59.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -72.81 -29.18 63.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.803 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.5 p90 -164.28 -179.28 5.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.2 mt -94.05 97.73 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.642 HD11 ' HB2' ' A' ' 21' ' ' LEU . 50.2 tp -72.01 111.7 7.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.65 102.79 15.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.117 . . . . 0.0 110.31 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -82.91 99.55 9.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.57 HG11 ' HE1' ' A' ' 22' ' ' PHE . 83.9 t -93.27 134.18 31.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.345 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.27 103.27 15.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.855 HD12 ' CD2' ' A' ' 60' ' ' TYR . 11.5 pt -80.8 -18.82 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.703 HG22 ' HB2' ' A' ' 24' ' ' LYS . 34.4 p -64.2 -11.77 34.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.1 mt -81.28 158.99 68.66 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -45.11 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.799 . . . . 0.0 111.003 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -63.6 -21.68 66.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -105.67 -0.02 25.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 60' ' ' TYR . 40.9 t -40.17 -47.78 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.027 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.0 m -44.45 -48.74 10.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.656 ' HB3' HG22 ' A' ' 51' ' ' ILE . 54.2 m95 -55.93 -39.44 71.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.855 ' CD2' HD12 ' A' ' 51' ' ' ILE . 21.1 t80 -74.14 -52.8 11.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -51.12 -25.0 4.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.551 ' NE ' ' CE2' ' A' ' 63' ' ' TYR . 8.1 ptm180 -97.61 -28.18 14.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.327 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.551 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 23.4 m-85 -137.14 72.67 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 0.4 OUTLIER -109.84 -15.36 14.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.41 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 1.5 p90 -130.18 6.46 4.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.58 1.175 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.48 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -105.45 -46.38 4.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.701 HD13 ' CD1' ' A' ' 51' ' ' ILE . 5.0 pt -35.77 155.47 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.5 Cg_endo -74.96 133.56 31.94 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.036 -0.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.565 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 77.3 t -103.66 136.8 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.887 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 95.7 m-85 -119.73 123.94 44.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.565 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 45.5 m170 -115.48 123.14 47.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.597 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -109.29 116.91 32.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 62.88 52.72 2.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 50.79 41.32 43.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.96 118.53 4.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 110.353 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.565 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -42.41 110.86 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.022 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.761 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -86.8 -44.8 11.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -177.11 152.21 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.615 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 4.2 ptt? -148.88 160.54 43.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.615 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 5.6 m170 87.37 8.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.615 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 3.2 ptp180 163.69 -174.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.887 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 48.2 t -130.46 80.14 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 84' ' ' THR . 5.7 m-20 -81.26 83.37 6.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 85' ' ' SER . 19.4 p -37.99 -54.24 1.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.1 OUTLIER -36.45 -41.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 109.99 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -59.63 2.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.1 tp -47.68 -60.96 2.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -44.4 -55.19 5.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.0 -51.22 24.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 91' ' ' LEU . 33.5 mm-40 -58.31 -59.98 4.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.803 HD21 ' HD2' ' A' ' 44' ' ' PHE . 18.0 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.0 mt -87.35 157.15 53.57 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 162.97 36.17 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.463 1.77 . . . . 0.0 111.019 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.4 t -105.97 111.58 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.678 HD11 HD23 ' A' ' 77' ' ' LEU . 5.5 tp -98.73 109.18 21.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.8 m -78.13 113.14 15.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.565 HD23 ' HG3' ' A' ' 48' ' ' GLU . 5.4 tp -104.81 122.78 46.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.618 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 65.8 m-85 -106.19 99.64 9.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -105.97 171.14 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.438 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.704 ' HG2' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.529 ' N ' HD12 ' A' ' 29' ' ' LEU . 3.0 mp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 31' ' ' ASP . 12.3 p -47.35 -41.36 19.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 108.289 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.462 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 2.2 m-20 -62.97 -62.72 1.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.642 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -49.86 -54.17 21.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.712 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -40.14 -60.64 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' LEU . 3.1 mttt -46.12 -52.02 12.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -52.93 -25.88 13.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 32' ' ' GLU . 13.3 t -82.29 -22.08 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.583 HD11 ' CE2' ' A' ' 70' ' ' PHE . 16.2 mt -98.31 -3.81 36.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.504 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -47.42 -51.55 42.68 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.04 1.74 7.43 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.453 1.765 . . . . 0.0 111.038 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.542 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 97.9 m-85 -121.58 9.21 10.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 44' ' ' PHE . 1.4 mmmt -61.86 -46.23 90.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.11 -17.69 42.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -62.39 -28.27 69.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.346 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.631 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 1.9 p90 -163.72 -176.79 4.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.1 mt -95.68 99.99 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.58 HD13 HD23 ' A' ' 19' ' ' LEU . 34.5 tp -74.56 105.52 5.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -93.46 98.09 10.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.565 ' HG3' HD23 ' A' ' 21' ' ' LEU . 2.1 mt-10 -78.21 103.51 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.504 HG11 ' HE1' ' A' ' 22' ' ' PHE . 94.6 t -93.58 126.74 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.401 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 1.7 m-20 -87.34 102.91 14.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.74 HD11 ' CD1' ' A' ' 67' ' ' ILE . 14.8 pt -80.18 -18.73 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.594 HG22 ' HB2' ' A' ' 24' ' ' LYS . 30.1 p -70.56 -6.16 34.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.387 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.7 mt -78.76 159.9 73.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -37.58 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.86 -15.89 59.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.335 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 86.7 m-20 -110.57 5.86 21.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.48 -23.31 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.033 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.3 m -67.7 -53.01 31.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.423 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.622 ' HB3' HG22 ' A' ' 51' ' ' ILE . 59.5 m95 -52.49 -28.3 19.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 108.021 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.713 ' CD2' HD12 ' A' ' 51' ' ' ILE . 32.5 t80 -82.51 -53.39 6.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -52.06 -19.84 2.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.575 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -101.07 -32.31 10.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.575 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 24.7 m-85 -136.24 76.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.572 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 4.8 pttt -114.08 -1.71 13.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -140.12 15.53 2.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.402 1.064 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -119.0 -41.58 2.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.74 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.9 OUTLIER -36.48 155.04 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.1 Cg_endo -75.02 130.14 20.51 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.001 -2.5 . . . . 0.0 110.975 0.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.563 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 72.2 t -97.0 134.04 36.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.924 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 92.6 m-85 -116.5 120.2 38.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.585 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 37.4 m170 -114.88 116.95 29.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.591 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -103.08 119.54 39.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 62.35 52.95 2.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 49.21 41.5 30.98 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -154.94 120.35 5.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 110.299 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.585 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 1.1 t80 -41.96 113.5 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.678 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -90.5 -43.39 10.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.447 ' HA ' ' CE1' ' A' ' 76' ' ' PHE . 8.9 ptt? -177.28 148.19 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 111.063 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.542 ' SD ' ' NE2' ' A' ' 80' ' ' HIS . 3.7 ptt? -144.99 161.47 39.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.542 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 4.5 m170 88.52 9.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.572 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 3.5 mtt85 161.11 -167.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.924 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 22.0 t -131.69 80.63 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 84' ' ' THR . 3.3 m-20 -80.03 77.9 6.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 83' ' ' ASN . 81.2 p -36.16 -52.18 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.412 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.2 OUTLIER -37.86 -44.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.016 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -62.51 1.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.609 HD21 ' HE2' ' A' ' 44' ' ' PHE . 12.8 tp -41.51 -67.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -41.41 -52.39 3.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -50.15 -54.07 23.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -58.75 -49.24 78.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.346 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.9 mt -104.99 157.01 35.16 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.92 42.97 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.4 t -100.37 116.0 42.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.716 HD23 HD13 ' A' ' 46' ' ' LEU . 8.5 tp -102.84 110.1 21.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.408 ' HB ' ' HB2' ' A' ' 71' ' ' HIS . 45.8 m -80.8 109.1 15.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.683 ' HB2' HD11 ' A' ' 46' ' ' LEU . 8.3 tp -100.3 122.71 43.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.437 ' CZ ' ' CZ3' ' A' ' 59' ' ' TRP . 70.4 m-85 -105.32 99.31 8.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -107.46 171.4 7.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.769 ' HG2' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.414 ' CD2' ' N ' ' A' ' 29' ' ' LEU . 1.1 mm? . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.478 ' SG ' ' N ' ' A' ' 31' ' ' ASP . 11.6 p -40.52 -42.19 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.286 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.478 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -57.09 -65.3 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.914 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -53.6 -50.41 65.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 110.266 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.767 ' HA ' HG21 ' A' ' 82' ' ' VAL . . . -41.84 -62.59 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 37' ' ' LEU . 2.0 mttm -46.63 -53.06 12.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -53.47 -26.53 20.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 32' ' ' GLU . 6.3 t -82.0 -19.82 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.587 HD11 ' CE2' ' A' ' 70' ' ' PHE . 15.4 mt -100.92 -1.43 34.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.492 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -49.69 -52.16 53.43 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.285 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.0 1.11 8.1 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.51 1.795 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.417 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 97.8 m-85 -119.85 12.34 12.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -68.4 -53.44 23.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.53 -13.83 60.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -64.73 -42.7 95.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.837 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.1 p90 -149.46 -172.89 4.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 10.4 mt -98.84 98.78 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.716 HD13 HD23 ' A' ' 19' ' ' LEU . 41.6 tp -75.28 107.17 7.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -93.68 97.82 10.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.433 ' OE2' ' NZ ' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -77.89 106.74 9.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.434 HG11 ' HE1' ' A' ' 22' ' ' PHE . 72.4 t -95.35 129.16 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.41 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 8.5 m-20 -87.87 103.06 15.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.728 HD11 ' CD1' ' A' ' 67' ' ' ILE . 14.2 pt -82.71 -14.3 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 4.8 p -73.95 -4.38 34.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.403 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.4 mt -82.76 159.34 63.69 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -35.27 3.25 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -77.29 -12.41 59.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 90.4 m-20 -115.49 6.11 14.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.18 -29.65 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.026 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -65.45 -45.66 82.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.43 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.706 ' HB3' HG22 ' A' ' 51' ' ' ILE . 44.5 m95 -57.92 -29.53 65.2 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.718 ' CD2' HD12 ' A' ' 51' ' ' ILE . 31.9 t80 -82.22 -56.75 3.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -50.92 -21.36 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.341 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.584 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 11.0 ptm180 -98.23 -30.91 12.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.584 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 21.7 m-85 -138.71 74.71 1.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.624 ' CE ' ' CE2' ' A' ' 65' ' ' PHE . 3.7 pttt -109.99 -35.22 6.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.624 ' CE2' ' CE ' ' A' ' 64' ' ' LYS . 11.5 m-85 -106.63 12.37 29.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -111.62 -46.14 3.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.769 HD12 ' HG2' ' A' ' 24' ' ' LYS . 1.5 pt -36.16 155.27 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -75.02 131.32 23.84 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.048 -2.48 . . . . 0.0 111.003 0.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.558 HG12 ' CD2' ' A' ' 71' ' ' HIS . 91.6 t -99.45 139.63 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.926 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 89.6 m-85 -122.6 121.39 36.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.573 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 44.7 m170 -115.24 117.84 31.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.527 ' HG ' HD13 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -105.32 123.33 47.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 62.13 44.73 7.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.28 41.4 79.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -154.48 119.65 5.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.769 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.573 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -39.68 107.96 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 111.028 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.708 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -85.53 -44.57 12.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.4 ' HA ' ' CE1' ' A' ' 76' ' ' PHE . 9.8 ptt? -175.52 148.39 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.571 ' HG3' ' CE1' ' A' ' 80' ' ' HIS . 5.2 ptp -145.11 162.69 36.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.571 ' CE1' ' HG3' ' A' ' 79' ' ' MET . 6.7 m170 87.82 8.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.617 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.464 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 160.7 -174.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.926 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 7.9 t -124.01 81.81 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 84' ' ' THR . 1.7 m120 -81.2 77.71 8.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.427 ' CG2' HG12 ' A' ' 36' ' ' VAL . 24.9 p -36.29 -48.95 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.412 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m -41.39 -49.99 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -64.4 -56.11 16.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.447 HD21 ' HE2' ' A' ' 44' ' ' PHE . 6.8 tp -47.24 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -41.59 -53.25 3.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.97 -54.42 6.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' LEU . 48.7 mm-40 -58.74 -55.21 38.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.837 HD21 ' HD2' ' A' ' 44' ' ' PHE . 19.4 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.8 mt -92.29 156.85 41.41 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 166.64 28.78 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.543 1.812 . . . . 0.0 111.05 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.0 t -109.35 116.94 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.088 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.7 HD11 HD23 ' A' ' 77' ' ' LEU . 7.0 tp -102.67 112.17 24.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.112 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.49 114.46 17.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.422 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.605 ' HB2' HD11 ' A' ' 46' ' ' LEU . 6.3 tp -109.3 122.73 47.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.819 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 89.2 m-85 -114.67 107.35 15.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.447 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 1.5 t -121.67 152.66 39.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 110.399 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.65 ' HD3' HD11 ' A' ' 67' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 32' ' ' GLU . 18.8 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.447 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 35.8 m -43.78 -30.96 0.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 108.298 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.411 ' N ' ' C ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -68.96 -49.17 60.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.483 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -68.77 -45.8 70.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.734 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -38.53 -58.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.588 ' CG ' HD21 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -46.66 -49.16 19.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 32' ' ' GLU . 10.0 mt-10 -56.37 -27.14 55.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 32' ' ' GLU . 14.8 t -80.79 -17.43 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.552 HD11 ' CE1' ' A' ' 70' ' ' PHE . 16.5 mt -102.52 10.41 38.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.509 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -61.43 -51.19 79.21 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.01 -1.57 11.4 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.454 1.765 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.468 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 98.0 m-85 -116.43 2.78 13.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -58.77 -31.58 68.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -94.38 -16.25 23.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -70.21 -10.03 57.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.592 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 2.3 p90 176.77 175.23 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 57.7 mt -91.02 98.99 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.628 HD13 HD23 ' A' ' 19' ' ' LEU . 57.6 tp -71.4 111.21 6.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.348 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.454 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.61 102.95 15.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.457 ' HG3' HD23 ' A' ' 21' ' ' LEU . 2.8 mt-10 -84.4 100.29 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.702 HG11 ' HE1' ' A' ' 22' ' ' PHE . 96.4 t -93.9 147.71 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.2 102.87 12.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.625 HD12 ' CD2' ' A' ' 60' ' ' TYR . 13.7 pt -80.04 -11.08 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.447 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 21.6 p -75.42 0.24 17.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.422 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.0 mt -92.0 160.1 36.43 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -37.66 1.91 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.503 1.791 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -72.53 -20.88 61.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.349 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -106.26 7.71 31.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.4 t -49.58 -22.08 1.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -70.03 -49.84 47.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.819 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 78.9 m95 -59.22 -19.65 47.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 108.012 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.625 ' CD2' HD12 ' A' ' 51' ' ' ILE . 38.2 t80 -88.95 -56.18 3.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -52.22 -20.03 2.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.568 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 9.4 ptm180 -96.82 -31.48 12.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.697 ' CG ' HG21 ' A' ' 69' ' ' VAL . 22.3 m-85 -135.48 66.77 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.09 -9.21 20.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.477 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 2.3 p90 -147.48 17.28 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 111.038 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.477 ' OD1' ' CD1' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -129.4 30.37 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.65 HD11 ' HD3' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -104.36 163.91 16.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.568 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.97 151.81 97.4 Favored 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.988 0.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.697 HG21 ' CG ' ' A' ' 63' ' ' TYR . 71.8 t -107.88 149.99 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.958 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 97.3 m-85 -138.17 117.42 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.575 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 30.4 m170 -110.84 117.45 33.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.612 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -103.46 118.61 37.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 68.11 24.91 7.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.29 39.11 32.23 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -150.97 119.11 6.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.575 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.8 OUTLIER -38.23 101.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.7 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -80.52 -43.73 20.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.647 ' HE2' HD21 ' A' ' 77' ' ' LEU . 7.0 ptt? -175.62 149.65 1.0 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.519 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 3.2 ptt? -143.35 158.52 43.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.519 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 3.4 m170 87.68 9.64 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.64 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.476 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 7.5 mtt180 160.45 -168.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.958 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 16.4 t -129.93 81.05 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 86' ' ' LYS . 2.3 m120 -73.99 78.72 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 83' ' ' ASN . 1.4 p -37.34 -49.04 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.374 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.3 t -42.08 -48.22 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.527 ' HD2' HD12 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -67.73 -60.41 2.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.419 HD11 HD11 ' A' ' 91' ' ' LEU . 16.6 tp -40.56 -67.19 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -44.5 -55.92 4.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.06 -49.34 8.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -62.29 -55.77 25.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.461 HD21 ' HD2' ' A' ' 44' ' ' PHE . 69.2 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.6 mt -99.93 157.17 34.38 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.37 27.2 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.45 1.763 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.3 t -110.38 110.12 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.841 HD23 ' CD1' ' A' ' 46' ' ' LEU . 7.3 tp -95.93 111.6 23.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.2 m -84.37 106.36 15.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.439 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.484 ' HB2' HD11 ' A' ' 46' ' ' LEU . 18.8 tp -97.6 119.68 36.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.357 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.565 ' CD1' ' HB ' ' A' ' 49' ' ' VAL . 72.1 m-85 -105.11 100.78 10.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -120.18 175.03 6.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.408 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.46 ' N ' ' OG1' ' A' ' 23' ' ' THR . 2.2 ptmt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 32' ' ' GLU . 5.8 mt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 34.1 m -42.5 -29.57 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 108.303 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.454 ' N ' ' C ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -61.65 -51.62 67.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -71.87 -49.11 40.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.549 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -36.79 -57.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' CE ' HG21 ' A' ' 23' ' ' THR . 47.9 mttt -46.47 -50.83 16.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 32' ' ' GLU . 8.8 mt-10 -54.83 -26.07 32.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 33' ' ' ALA . 13.7 t -81.46 -16.2 12.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.551 HD11 ' CE2' ' A' ' 70' ' ' PHE . 13.9 mt -103.83 -0.74 28.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.47 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -50.34 -53.16 47.77 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.2 Cg_endo -75.01 1.25 7.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -119.86 12.96 12.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 44' ' ' PHE . 9.0 mtmp? -69.56 -51.95 30.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -15.51 60.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.424 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 4.0 mmp_? -63.89 -46.86 82.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.783 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.3 p90 -145.01 -176.77 5.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.7 mt -95.51 99.83 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.841 ' CD1' HD23 ' A' ' 19' ' ' LEU . 32.2 tp -76.57 105.34 7.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.591 1.182 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -93.6 98.49 11.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.423 ' HG3' HD23 ' A' ' 21' ' ' LEU . 2.2 mt-10 -79.31 105.16 10.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.565 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 77.1 t -93.48 133.31 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -91.55 103.3 15.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.745 HD12 ' CD2' ' A' ' 60' ' ' TYR . 11.2 pt -82.91 -9.78 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 24' ' ' LYS . 15.6 p -77.34 -2.3 34.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.373 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 53' ' ' LEU . 28.5 mt -86.4 161.43 48.69 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -38.2 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.541 1.811 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.21 -26.72 62.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -102.06 6.89 41.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 t -50.98 -22.0 2.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.9 m -68.23 -51.75 41.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.382 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.618 ' CB ' HG22 ' A' ' 51' ' ' ILE . 68.8 m95 -54.78 -28.83 51.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 108.025 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.745 ' CD2' HD12 ' A' ' 51' ' ' ILE . 31.1 t80 -80.37 -53.13 6.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.97 -18.45 3.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.261 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.562 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 9.1 ptm180 -102.6 -30.44 10.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.562 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 24.8 m-85 -140.33 76.73 1.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.584 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 23.1 pttt -116.85 -5.16 11.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -135.94 9.75 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.648 ' HB3' ' HE2' ' A' ' 80' ' ' HIS . 1.5 m-20 -113.08 -40.67 3.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.677 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.9 OUTLIER -36.01 155.45 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.97 130.95 22.61 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.025 -0.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.586 HG12 ' CD2' ' A' ' 71' ' ' HIS . 62.8 t -102.9 121.22 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.916 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 94.5 m-85 -101.76 123.34 45.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.586 ' CD2' HG12 ' A' ' 69' ' ' VAL . 33.2 m170 -115.93 117.44 30.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 109.625 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -106.13 119.49 39.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 62.29 51.98 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 48.83 37.58 21.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.95 115.56 5.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 0.777 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.58 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -38.93 111.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.639 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -88.46 -45.46 9.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.2 ptt? -177.4 150.21 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.592 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 3.8 ptt? -146.38 161.89 39.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.648 ' HE2' ' HB3' ' A' ' 66' ' ' ASP . 5.1 m170 87.53 9.91 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.595 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.482 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 15.1 mtt180 159.93 -173.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.916 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 21.0 t -123.26 81.44 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -74.83 75.57 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' ASN . 1.3 p -37.41 -53.07 1.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.143 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.8 t -41.69 -45.45 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.968 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER -69.7 -56.02 8.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.416 HD11 ' HE2' ' A' ' 44' ' ' PHE . 4.3 tp -47.53 -65.53 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.446 ' HA ' HD12 ' A' ' 91' ' ' LEU . 2.1 mt-10 -43.07 -49.87 6.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -54.64 33.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.427 ' HG3' HD13 ' A' ' 77' ' ' LEU . 31.5 mm-40 -54.74 -51.32 66.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.783 HD21 ' HD2' ' A' ' 44' ' ' PHE . 35.0 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 34.1 mt -101.66 157.31 33.92 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.61 16.03 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.454 1.765 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.2 t -115.46 115.07 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.248 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.84 HD23 HD13 ' A' ' 46' ' ' LEU . 6.5 tp -98.7 111.0 23.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m -78.65 106.19 10.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.377 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.735 HD23 ' HG3' ' A' ' 48' ' ' GLU . 5.5 tp -100.57 122.33 43.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.646 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 61.3 m-85 -107.81 103.26 12.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.577 HG21 ' HE2' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -117.64 171.31 8.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.406 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.702 ' HG2' HD12 ' A' ' 67' ' ' ILE . 3.0 pttt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' CYS . 7.9 mp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' LEU . 44.7 m -40.39 -46.11 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 108.321 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -54.23 -58.1 8.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.649 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -61.07 -45.86 93.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.752 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -39.11 -61.29 0.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.577 ' HE2' HG21 ' A' ' 23' ' ' THR . 13.4 mttt -45.93 -51.71 12.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -54.22 -28.92 44.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 32' ' ' GLU . 17.4 t -78.84 -21.42 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.562 HD11 ' CE2' ' A' ' 70' ' ' PHE . 12.4 mt -96.92 18.29 14.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.515 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -66.4 -50.85 46.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.01 0.85 8.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.545 1.813 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.572 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 74.6 m-85 -124.78 -0.2 8.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' LEU . 15.2 pttp -61.22 -22.24 64.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -103.7 -15.33 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.789 ' HD2' HD13 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -70.63 -13.37 62.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.601 ' HD2' HD21 ' A' ' 91' ' ' LEU . 6.4 p90 -173.78 179.18 2.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.6 mt -95.58 98.88 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.84 HD13 HD23 ' A' ' 19' ' ' LEU . 52.1 tp -73.3 108.84 6.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -93.55 98.81 11.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.735 ' HG3' HD23 ' A' ' 21' ' ' LEU . 2.2 mt-10 -80.07 101.86 8.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.513 HG11 ' CE1' ' A' ' 22' ' ' PHE . 94.4 t -88.23 138.87 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -99.48 102.95 14.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.707 HG22 ' HB3' ' A' ' 59' ' ' TRP . 24.4 pt -77.86 -26.99 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.506 HG23 ' HB2' ' A' ' 24' ' ' LYS . 4.8 p -56.59 -16.98 7.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.4 mt -70.64 157.57 89.85 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -37.42 2.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.87 -35.33 76.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.252 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 59' ' ' TRP . 87.4 m-20 -91.15 7.5 40.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.2 t -44.38 -27.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -70.83 -42.47 70.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.434 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.707 ' HB3' HG22 ' A' ' 51' ' ' ILE . 48.0 m95 -61.3 -16.14 42.65 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.601 ' CD2' HD12 ' A' ' 51' ' ' ILE . 28.6 t80 -96.35 -54.44 3.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.419 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 10.2 mt-10 -51.19 -20.43 1.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.561 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 11.1 ptm180 -99.21 -34.35 10.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.239 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.561 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 22.5 m-85 -131.13 71.29 1.47 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.505 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -109.33 -6.12 15.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.427 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 0.9 OUTLIER -143.15 14.13 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.96 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.663 ' HB3' ' HE2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -111.6 -46.23 3.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.702 HD12 ' HG2' ' A' ' 24' ' ' LYS . 5.3 pt -35.79 156.73 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.2 Cg_endo -75.03 135.31 39.91 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.021 -0.041 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.563 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 97.0 t -105.64 139.66 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.93 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 95.5 m-85 -122.65 123.53 41.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.563 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 45.8 m170 -115.52 122.23 45.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.622 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -106.51 113.43 26.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 72' ' ' LEU . 9.0 m-80 64.11 56.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 48.82 41.78 28.27 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -153.25 123.36 6.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.784 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.55 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -48.22 111.04 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.766 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -88.59 -44.56 10.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.266 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.405 ' O ' ' HB2' ' A' ' 70' ' ' PHE . 9.2 ptt? -177.43 151.81 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.62 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 4.1 ptt? -149.4 163.46 37.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.663 ' HE2' ' HB3' ' A' ' 66' ' ' ASP . 6.0 m170 87.22 10.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.574 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.466 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 160.94 -170.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.93 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 48.2 t -129.96 83.51 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 84' ' ' THR . 7.2 m120 -83.76 76.76 9.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 83' ' ' ASN . 2.4 p -35.47 -46.98 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.415 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.6 -46.07 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.475 ' HD3' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -69.83 -62.42 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.467 HD12 ' HG ' ' A' ' 91' ' ' LEU . 4.2 tp -39.83 -68.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -41.48 -52.15 3.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.36 -63.22 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 91' ' ' LEU . 24.1 mm-40 -51.71 -53.78 35.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.789 HD13 ' HD2' ' A' ' 43' ' ' ARG . 21.6 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.67 123.02 19.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.779 . . . . 0.0 110.014 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.5 p -58.6 -19.67 40.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.0 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.05 166.7 8.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.448 1.092 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.42 115.8 3.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 0.774 . . . . 0.0 110.034 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.31 95.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.28 143.41 18.05 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -165.52 155.86 13.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.766 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.03 142.89 40.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.86 -56.67 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.008 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 56.69 71.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.7 p -166.8 156.44 11.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.966 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -52.39 166.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 14' ' ' ARG . 5.0 ptt180 -109.29 116.52 32.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.16 116.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.418 HD13 ' O ' ' A' ' 42' ' ' ASP . 18.3 mt -96.65 157.65 34.94 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.403 ' HB2' ' CD2' ' A' ' 72' ' ' LEU . 18.2 Cg_endo -74.96 157.85 42.69 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.1 t -100.32 110.92 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.692 HD11 HD23 ' A' ' 77' ' ' LEU . 7.4 tp -93.24 111.5 23.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -79.86 102.0 8.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.397 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.566 HD12 ' N ' ' A' ' 22' ' ' PHE . 2.6 tp -95.14 121.41 36.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.62 ' HE1' HG11 ' A' ' 49' ' ' VAL . 57.9 m-85 -109.61 98.67 7.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.447 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -101.74 165.32 11.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.421 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.852 ' HG2' HD12 ' A' ' 67' ' ' ILE . 1.7 ptmt -156.46 -178.39 7.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.54 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -160.58 149.43 13.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.97 133.91 33.53 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 121.061 -2.475 . . . . 0.0 111.003 -0.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.434 ' N ' ' HA ' ' A' ' 25' ' ' ALA . 1.5 m -162.36 104.55 1.1 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 0.0 108.32 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.62 8.69 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.503 1.791 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.431 ' C ' ' N ' ' A' ' 31' ' ' ASP . 18.8 mt -85.36 -60.72 1.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.447 ' HB2' ' CB ' ' A' ' 23' ' ' THR . 14.7 p -48.61 -24.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.269 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.431 ' N ' ' C ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -70.84 -56.4 6.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.624 ' O ' HG23 ' A' ' 36' ' ' VAL . 3.9 tt0 -61.87 -49.39 76.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.718 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -37.99 -61.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.456 ' CG ' HD21 ' A' ' 21' ' ' LEU . 4.6 mtpm? -45.43 -52.31 10.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -53.18 -29.1 29.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 32' ' ' GLU . 13.2 t -78.57 -19.28 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.562 HD11 ' CE2' ' A' ' 70' ' ' PHE . 16.2 mt -101.57 19.79 17.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.509 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -69.09 -51.14 18.8 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.568 ' HG2' ' CE1' ' A' ' 40' ' ' TYR . 18.3 Cg_endo -75.03 0.79 8.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.568 ' CE1' ' HG2' ' A' ' 39' ' ' PRO . 55.9 m-85 -123.19 10.42 9.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -62.95 -33.1 74.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.418 ' O ' HD13 ' A' ' 16' ' ' LEU . 1.1 p-10 -97.26 -13.88 21.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.43 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 4.9 mmp_? -68.76 -9.01 48.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.737 ' HD2' HD21 ' A' ' 91' ' ' LEU . 2.5 p90 178.69 177.97 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 12.8 mt -92.48 100.43 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.605 HD13 HD23 ' A' ' 19' ' ' LEU . 42.4 tp -73.68 105.66 5.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' LEU . 13.8 tt0 -93.77 98.43 11.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.522 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -79.5 108.41 13.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.62 HG11 ' HE1' ' A' ' 22' ' ' PHE . 94.0 t -100.73 127.6 53.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -86.65 103.15 14.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.757 ' CD1' HD13 ' A' ' 67' ' ' ILE . 22.5 pt -81.67 -19.3 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.1 p -66.93 -10.29 47.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 mt -80.72 160.11 67.52 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -45.48 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.769 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -62.42 -21.14 65.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -108.1 4.67 25.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.2 t -45.1 -33.12 2.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 m -58.62 -54.62 45.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.455 ' HB3' HG22 ' A' ' 51' ' ' ILE . 63.5 m95 -49.74 -43.93 48.18 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.586 ' CD2' HD12 ' A' ' 51' ' ' ILE . 42.7 t80 -67.64 -55.81 11.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.953 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -45.86 -35.42 4.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.51 ' NE ' ' CE2' ' A' ' 63' ' ' TYR . 8.6 ptm180 -88.55 -29.25 20.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.51 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 21.4 m-85 -134.82 68.13 1.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.58 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -103.61 -17.09 15.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.469 ' CD2' ' HG3' ' A' ' 64' ' ' LYS . 1.3 p90 -132.25 5.77 4.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.492 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -117.33 29.48 7.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.852 HD12 ' HG2' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -109.11 162.59 19.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.534 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.98 147.63 89.75 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.97 -2.513 . . . . 0.0 111.007 -0.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.527 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 45.8 t -104.06 152.11 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.935 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 96.7 m-85 -137.28 118.7 14.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.551 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 36.3 m170 -112.21 118.4 35.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.623 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 1.054 HD13 HD11 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -103.75 112.3 25.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.403 HD22 HD13 ' A' ' 94' ' ' LEU . 0.5 OUTLIER 72.51 28.97 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.47 38.82 57.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -149.9 117.52 6.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.551 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -38.17 102.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.692 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -82.48 -43.52 17.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.523 ' HE2' HD21 ' A' ' 77' ' ' LEU . 8.9 ptt? -175.62 149.05 0.94 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.527 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 3.1 ptt? -144.45 157.88 44.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.527 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 3.3 m170 87.53 9.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.596 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.424 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.5 OUTLIER 164.34 -166.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.935 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 21.6 t -135.54 80.23 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' THR . 1.7 m120 -76.22 77.29 3.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 83' ' ' ASN . 18.2 p -35.76 -53.72 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.41 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' THR . 3.9 t -39.14 -49.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -64.09 -51.31 64.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.464 HD21 ' HE2' ' A' ' 44' ' ' PHE . 7.7 tp -51.12 -63.82 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -41.66 -53.53 3.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.39 -61.25 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 91' ' ' LEU . 32.8 mm-40 -53.5 -53.21 54.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.737 HD21 ' HD2' ' A' ' 44' ' ' PHE . 23.1 mt -40.46 -59.27 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -41.19 -59.28 1.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 110.249 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -124.16 115.91 21.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.054 HD11 HD13 ' A' ' 72' ' ' LEU . 3.0 mt -140.23 -72.66 0.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.4 m -58.12 -55.66 32.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.527 1.142 . . . . 0.0 110.083 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.5 -175.29 31.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 108.88 2.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.63 98.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.032 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.86 108.39 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.052 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t 66.31 156.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.937 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 m -137.37 169.33 17.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.963 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.46 179.48 21.67 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.517 1.135 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 p -167.01 165.63 15.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 0.761 . . . . 0.0 109.955 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.34 169.9 23.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.8 -146.99 5.85 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -173.65 155.69 2.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.64 172.21 15.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.38 150.07 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -175.2 144.55 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.85 169.64 8.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.13 162.55 13.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.76 132.23 45.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -172.41 117.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.2 mt -100.59 157.13 34.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 164.46 33.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -108.21 107.94 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.669 HD11 HD23 ' A' ' 77' ' ' LEU . 5.8 tp -90.87 109.56 20.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.4 m -78.69 99.9 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.398 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.604 ' HB2' HD11 ' A' ' 46' ' ' LEU . 2.2 tp -91.29 121.68 33.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.692 ' CZ ' ' CZ3' ' A' ' 59' ' ' TRP . 72.6 m-85 -108.2 100.18 9.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.48 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -108.35 161.9 14.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.907 ' HG2' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -157.0 -176.71 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.543 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -150.9 147.3 20.57 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.03 135.03 38.59 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.013 -2.495 . . . . 0.0 110.972 0.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.41 ' N ' ' HA ' ' A' ' 25' ' ' ALA . 8.7 t -156.35 102.7 2.04 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 108.338 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -14.94 21.09 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.56 1.821 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 29' ' ' LEU . 6.2 mp -77.91 -54.74 5.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.48 ' HB2' ' CB ' ' A' ' 23' ' ' THR . 12.1 p -41.7 -38.77 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 108.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.417 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 1.5 t70 -65.91 -56.45 11.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -58.7 -52.79 64.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.651 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -38.74 -58.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -45.64 -51.26 12.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -53.47 -28.55 31.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 32' ' ' GLU . 15.7 t -79.14 -19.16 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.522 HD11 ' CE2' ' A' ' 70' ' ' PHE . 16.6 mt -102.24 19.12 19.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.511 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -69.46 -50.65 18.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.5 Cg_endo -74.98 0.89 8.35 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.781 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.569 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 59.7 m-85 -127.55 21.29 6.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.81 -18.95 45.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -106.78 -15.11 14.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.98 -32.33 70.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.787 ' HD2' HD21 ' A' ' 91' ' ' LEU . 4.5 p90 -151.88 178.63 9.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.7 mt -94.91 99.91 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.34 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.644 ' CD1' HD23 ' A' ' 19' ' ' LEU . 42.3 tp -71.68 104.85 3.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 21' ' ' LEU . 14.9 tt0 -93.96 98.78 11.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.426 ' HG3' HD23 ' A' ' 21' ' ' LEU . 1.7 mt-10 -77.68 105.73 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.572 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 81.4 t -96.82 122.99 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.01 103.17 12.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.704 ' CD1' HD13 ' A' ' 67' ' ' ILE . 16.1 pt -81.81 -11.55 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.571 HG22 ' HB2' ' A' ' 24' ' ' LYS . 69.0 p -76.7 -0.26 22.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.9 mt -88.08 160.99 45.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -40.21 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.52 1.8 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.99 -22.36 63.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -105.87 6.04 31.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.4 t -46.82 -25.29 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.012 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 m -66.64 -59.12 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.692 ' CZ3' ' CZ ' ' A' ' 22' ' ' PHE . 69.3 m95 -46.13 -34.14 4.03 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.658 ' CD2' HD12 ' A' ' 51' ' ' ILE . 35.8 t80 -76.89 -55.65 5.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.12 -28.56 4.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.543 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 12.6 ptp180 -91.11 -30.29 16.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.543 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 28.4 m-85 -137.76 70.07 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -102.39 -20.02 14.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -128.76 7.11 5.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.487 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -120.33 30.37 7.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.907 HD12 ' HG2' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -108.25 163.04 17.83 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.542 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.2 Cg_endo -75.03 148.44 91.7 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.985 0.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 66' ' ' ASP . 48.6 t -106.3 149.33 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.966 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 93.8 m-85 -132.42 116.84 17.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.57 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 31.2 m170 -110.76 117.09 32.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.602 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 1.032 HD13 HD11 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -102.28 117.43 34.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.711 HD22 HD13 ' A' ' 94' ' ' LEU . 13.6 m-80 62.65 50.93 3.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 52.77 41.44 57.94 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -154.37 118.54 4.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 0.762 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.57 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.2 OUTLIER -41.75 117.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 111.05 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.669 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -95.41 -44.64 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.661 ' HE2' HD21 ' A' ' 77' ' ' LEU . 7.9 ptt? -174.87 149.07 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.505 ' C ' ' CG ' ' A' ' 80' ' ' HIS . 2.3 ptt? -142.51 156.41 45.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.505 ' CG ' ' C ' ' A' ' 79' ' ' MET . 1.6 m170 87.5 9.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.608 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 1.3 mtt85 161.82 -167.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.265 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.966 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 57.7 t -132.67 80.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -70.26 81.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.4 p -37.37 -53.03 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.375 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.91 -51.62 3.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.007 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -60.54 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.543 HD11 HD11 ' A' ' 91' ' ' LEU . 3.2 tp -40.01 -68.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.637 ' HA ' HD12 ' A' ' 91' ' ' LEU . 4.9 mt-10 -43.97 -49.79 8.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.57 -61.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 91' ' ' LEU . 31.7 mm-40 -53.74 -53.35 53.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.787 HD21 ' HD2' ' A' ' 44' ' ' PHE . 32.1 mt -39.19 -61.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -38.22 -59.15 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.259 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.09 121.51 22.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.032 HD11 HD13 ' A' ' 72' ' ' LEU . 4.6 mt -134.3 -70.41 0.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 58.2 m 56.0 81.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.966 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -129.02 173.32 19.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 166.16 29.73 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.437 1.756 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -133.6 160.07 38.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 110.002 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.5 t -141.19 162.07 36.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.059 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.934 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.34 156.97 43.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 110.0 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.1 p -65.52 151.11 47.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.06 -93.71 0.1 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.9 78.07 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.953 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.8 m -151.32 127.37 10.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.1 -129.98 2.82 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.453 1.096 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 64.31 112.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 0.806 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 mt -129.01 171.14 12.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m -112.72 159.88 18.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 109.996 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -137.86 172.39 13.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.1 p -148.03 147.94 30.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -56.25 157.77 4.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -113.16 90.65 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -159.76 139.06 11.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.2 mt -87.05 151.62 52.02 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 159.08 41.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.53 1.805 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.4 t -105.78 115.7 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.757 HD11 HD23 ' A' ' 77' ' ' LEU . 6.2 tp -100.87 115.11 29.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 m -77.41 123.43 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.658 ' HB2' HD11 ' A' ' 46' ' ' LEU . 1.5 tp -117.45 121.2 40.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.655 ' N ' HD12 ' A' ' 21' ' ' LEU . 69.3 m-85 -110.61 98.53 7.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.492 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -104.52 170.11 8.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.416 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.874 ' HG2' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -163.47 -176.61 4.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.548 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -154.15 149.49 20.7 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.5 Cg_endo -74.99 134.29 35.28 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.024 -0.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.414 ' N ' ' HA ' ' A' ' 25' ' ' ALA . 14.2 t -157.37 102.19 1.87 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.113 . . . . 0.0 108.306 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -5.69 17.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.534 1.808 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.9 mt -87.23 -50.07 6.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.492 ' HB2' ' CB ' ' A' ' 23' ' ' THR . 14.4 p -48.17 -26.51 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.294 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.16 -58.14 3.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.726 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -54.5 -53.02 59.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.672 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -39.79 -62.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -45.25 -52.34 9.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -53.45 -28.98 33.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 32' ' ' GLU . 8.1 t -78.37 -18.28 13.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.54 HD11 ' CE2' ' A' ' 70' ' ' PHE . 14.1 mt -101.15 19.4 17.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.505 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -69.07 -51.27 18.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.4 Cg_endo -75.0 1.17 8.03 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.48 ' CE2' ' HG2' ' A' ' 39' ' ' PRO . 70.8 m-85 -122.81 4.42 9.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -61.51 -35.78 78.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.91 -17.57 26.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.438 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 3.5 mmp_? -64.54 -27.81 69.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.671 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.8 p90 -163.88 178.34 7.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.9 mt -93.78 98.68 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.658 HD11 ' HB2' ' A' ' 21' ' ' LEU . 60.3 tp -71.8 112.54 7.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.455 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.95 103.5 15.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.32 101.12 11.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 67.9 t -97.14 133.02 40.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.406 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 15.0 m-20 -92.93 103.1 15.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.725 ' CD1' HD13 ' A' ' 67' ' ' ILE . 13.2 pt -81.78 -15.79 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.796 HG22 ' HB2' ' A' ' 24' ' ' LYS . 20.1 p -70.8 -9.77 58.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 53' ' ' LEU . 37.3 mt -80.27 160.41 68.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -37.83 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.542 1.812 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -63.98 -38.7 92.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 76.2 m-20 -94.7 7.14 46.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.3 t -43.44 -28.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.3 m -65.19 -59.65 3.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.585 ' CE3' ' HD3' ' A' ' 62' ' ' ARG . 51.6 m95 -43.6 -40.61 4.14 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.713 ' CD2' HD12 ' A' ' 51' ' ' ILE . 33.0 t80 -69.78 -57.41 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -43.17 -37.41 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.262 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.635 ' NE ' ' CE2' ' A' ' 63' ' ' TYR . 17.6 ptm180 -85.73 -35.87 20.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.244 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.635 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 19.9 m-85 -127.45 69.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.584 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -104.68 -15.98 15.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -135.01 16.2 3.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.52 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -128.82 31.51 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.874 HD12 ' HG2' ' A' ' 24' ' ' LYS . 0.6 OUTLIER -110.47 162.73 19.34 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.538 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.4 Cg_endo -74.97 150.14 94.98 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.022 -0.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.559 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 71.5 t -107.37 151.9 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.849 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 96.5 m-85 -136.53 119.26 16.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.559 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 38.0 m170 -113.02 117.74 32.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.605 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.818 HD22 HD21 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -99.55 113.14 25.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.504 HD22 HD21 ' A' ' 94' ' ' LEU . 4.8 m-80 65.43 49.63 1.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.248 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 56.07 41.48 85.45 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -153.18 122.26 6.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.784 . . . . 0.0 110.265 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.554 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.4 OUTLIER -45.81 113.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.757 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -93.4 -42.61 9.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.544 ' HE2' HD21 ' A' ' 77' ' ' LEU . 7.8 ptt? -176.86 149.74 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.95 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.512 ' SD ' ' NE2' ' A' ' 80' ' ' HIS . 2.2 ptt? -143.83 157.44 44.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 111.031 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.512 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 1.9 m170 87.82 9.15 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.637 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 162.17 -166.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.849 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 66.5 t -132.36 80.18 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 86' ' ' LYS . 77.2 m-20 -71.8 76.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.1 p -37.2 -48.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.411 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -40.94 -45.61 2.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.991 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -69.55 -62.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.43 HD11 ' HE2' ' A' ' 44' ' ' PHE . 16.4 tp -40.6 -67.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -42.09 -51.33 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.259 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -51.67 -45.37 63.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 91' ' ' LEU . 62.2 mm-40 -64.75 -58.8 5.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.671 HD21 ' HD2' ' A' ' 44' ' ' PHE . 16.0 mt -39.06 -56.87 1.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.4 mtm-85 -40.47 -57.43 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -113.35 95.79 5.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.818 HD21 HD22 ' A' ' 72' ' ' LEU . 14.6 tp -160.87 -66.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.87 76.53 1.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.3 165.32 12.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.954 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.93 25.96 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.99 147.71 28.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.963 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.55 125.76 19.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 110.02 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.469 1.106 . . . . 0.0 110.969 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -85.78 166.58 15.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.7 p -178.32 82.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.33 141.35 3.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.72 146.83 4.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 t -126.49 143.78 51.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.15 78.92 0.12 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -142.09 127.95 19.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.53 -61.99 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.27 140.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.09 176.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 t -131.97 110.02 10.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.932 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -177.81 97.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.71 125.11 52.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -169.41 124.3 0.83 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.454 HD13 ' O ' ' A' ' 42' ' ' ASP . 21.1 mt -118.03 157.09 49.49 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.439 ' HB2' ' CD2' ' A' ' 72' ' ' LEU . 18.4 Cg_endo -75.0 157.78 42.57 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.47 1.773 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.2 t -101.31 102.04 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.827 HD23 HD13 ' A' ' 46' ' ' LEU . 6.7 tp -85.02 110.08 18.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.2 m -81.28 104.93 12.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.438 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.739 HD23 ' HG3' ' A' ' 48' ' ' GLU . 6.9 tp -95.78 124.96 40.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.787 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 61.3 m-85 -108.88 98.87 8.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.42 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -108.84 164.87 12.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.42 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.742 ' HG2' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -153.91 -177.1 6.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.534 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -155.15 141.0 12.78 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.97 133.36 31.06 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.041 -2.483 . . . . 0.0 110.978 -0.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.438 ' N ' ' HA ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -165.39 101.85 0.77 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 108.31 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -42.9 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.0 mt -48.15 -27.44 2.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.42 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 94.6 m -78.52 -59.34 2.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 108.289 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.75 -53.59 14.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -56.33 -52.71 63.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 110.298 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.703 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -38.47 -57.46 1.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.564 ' CG ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -45.99 -50.88 14.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 32' ' ' GLU . 7.8 mt-10 -53.93 -27.28 29.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' ALA . 14.3 t -80.6 -19.21 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.536 HD11 ' CE2' ' A' ' 70' ' ' PHE . 17.0 mt -101.71 14.26 32.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.513 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -63.66 -51.13 68.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.248 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.0 Cg_endo -75.04 0.71 8.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.769 . . . . 0.0 111.004 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.468 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 81.9 m-85 -121.5 7.9 10.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -34.09 74.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.454 ' O ' HD13 ' A' ' 16' ' ' LEU . 2.1 t0 -93.67 -16.25 24.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.416 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 10.6 mmp_? -67.89 -11.37 58.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.793 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.9 p90 178.35 175.15 0.57 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.137 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.6 mt -90.58 100.72 11.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.827 HD13 HD23 ' A' ' 19' ' ' LEU . 42.8 tp -76.19 106.52 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 21' ' ' LEU . 5.5 tt0 -93.83 98.27 10.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.739 ' HG3' HD23 ' A' ' 21' ' ' LEU . 3.8 mt-10 -79.09 106.47 11.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.443 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 76.2 t -99.06 127.39 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.626 ' HB3' HD23 ' A' ' 53' ' ' LEU . 2.8 m-20 -85.97 102.55 13.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.852 HD12 ' CD2' ' A' ' 60' ' ' TYR . 7.4 pt -80.28 0.42 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.713 ' C ' HD22 ' A' ' 53' ' ' LEU . 1.6 p -87.92 20.09 3.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.379 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.713 HD22 ' C ' ' A' ' 52' ' ' THR . 2.2 mm? -117.34 160.05 39.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -27.93 9.6 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.465 1.771 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 6.8 pt-20 -68.95 -38.99 79.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 23.5 m-20 -99.62 6.49 45.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.343 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' ASN . 2.5 t -38.84 -32.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 56' ' ' ASN . 2.2 m -62.78 -57.4 11.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.433 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.787 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 76.8 m95 -46.08 -37.47 6.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 108.044 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.852 ' CD2' HD12 ' A' ' 51' ' ' ILE . 30.8 t80 -74.92 -53.74 8.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.441 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 2.2 mt-10 -50.91 -22.35 2.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.628 ' NE ' ' CE2' ' A' ' 63' ' ' TYR . 9.1 ptm180 -99.54 -28.98 12.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.628 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 21.9 m-85 -136.28 68.84 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -103.14 -14.78 16.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.437 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 3.9 p90 -138.09 10.71 2.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.467 ' HB3' ' NE2' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -122.97 31.02 6.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.742 HD12 ' HG2' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -106.35 164.19 15.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.574 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.2 Cg_endo -74.99 152.24 97.95 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.962 -2.516 . . . . 0.0 111.024 -0.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.55 HG21 ' CG ' ' A' ' 63' ' ' TYR . 71.9 t -107.43 151.69 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 1.01 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 96.4 m-85 -137.81 113.66 9.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.551 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 24.7 m170 -108.58 117.22 33.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.576 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.974 HD13 HD22 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -100.25 114.88 28.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.35 29.69 4.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.36 34.06 58.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.82 116.35 8.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.551 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.7 OUTLIER -37.62 106.87 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.689 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -86.98 -44.17 11.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.538 ' HE2' HD21 ' A' ' 77' ' ' LEU . 7.8 ptt? -174.46 149.42 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.496 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 2.6 ptt? -143.67 159.93 41.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.496 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 3.2 m170 87.79 9.94 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.597 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 1.4 mtt180 159.33 -168.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.353 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 1.01 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 17.9 t -127.37 79.58 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.9 m120 -71.51 76.14 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.7 p -38.11 -52.18 1.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.438 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.35 -43.46 1.76 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -69.55 -61.85 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.506 HD11 ' CE2' ' A' ' 44' ' ' PHE . 12.5 tp -39.91 -66.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -43.04 -56.35 3.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.3 -43.32 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 91' ' ' LEU . 34.6 mm-40 -69.61 -56.02 8.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.793 HD21 ' HD2' ' A' ' 44' ' ' PHE . 17.2 mt -38.73 -60.29 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -39.47 -56.65 1.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -108.51 93.68 4.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.974 HD22 HD13 ' A' ' 72' ' ' LEU . 12.6 tp -165.69 -63.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.64 139.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.035 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -92.37 142.72 16.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.8 21.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.557 1.819 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.6 p -85.74 99.18 11.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.99 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 72.9 m -116.52 92.37 3.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 t -177.24 118.23 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 0.739 . . . . 0.0 109.962 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 p -173.78 165.38 4.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.974 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.37 124.26 0.7 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.84 131.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.978 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.52 150.61 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.65 154.42 25.36 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -139.11 161.89 36.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.761 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -99.06 107.09 19.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.86 160.52 19.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.55 158.34 29.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.37 169.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.029 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -117.95 170.83 8.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -137.75 93.89 2.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -164.42 117.16 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.7 mt -107.06 157.1 36.17 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 161.14 39.09 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.0 t -103.81 111.26 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.253 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.661 HD11 HD23 ' A' ' 77' ' ' LEU . 7.5 tp -93.3 110.85 22.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -78.98 104.36 9.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.375 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.583 HD12 ' N ' ' A' ' 22' ' ' PHE . 2.1 tp -98.53 120.06 38.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.692 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 65.2 m-85 -109.91 100.82 9.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.479 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -107.75 164.56 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.408 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.909 ' HG2' HD12 ' A' ' 67' ' ' ILE . 2.0 ptmt -159.58 -176.83 5.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.546 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -149.12 145.16 18.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.05 140.9 69.82 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.976 0.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.7 t -161.48 102.9 1.21 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 108.312 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -16.94 19.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 29' ' ' LEU . 1.9 mp -77.6 -52.81 8.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.479 ' HB2' ' CB ' ' A' ' 23' ' ' THR . 9.3 p -41.74 -39.0 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.358 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.426 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 0.7 OUTLIER -66.2 -61.68 1.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.728 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -53.47 -53.35 52.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.75 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -38.66 -63.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' LEU . 5.4 mtpm? -45.5 -53.39 8.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 2.6 mt-10 -52.47 -28.13 19.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 32' ' ' GLU . 16.7 t -79.78 -22.38 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.573 HD11 ' CE2' ' A' ' 70' ' ' PHE . 13.7 mt -96.84 15.82 21.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.503 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -63.96 -50.85 67.68 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -74.98 0.35 9.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.571 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 71.1 m-85 -125.44 30.12 5.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -88.79 -13.9 38.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.18 -14.54 13.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.605 ' HD2' HD13 ' A' ' 91' ' ' LEU . 0.6 OUTLIER -73.76 -12.69 60.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.709 ' HD2' HD21 ' A' ' 91' ' ' LEU . 4.2 p90 -173.93 176.67 2.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.9 mt -94.82 101.78 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.655 HD13 HD23 ' A' ' 19' ' ' LEU . 40.5 tp -71.4 107.89 4.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -94.94 98.57 10.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.338 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.486 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -81.36 108.85 15.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.553 HG11 ' HE1' ' A' ' 22' ' ' PHE . 76.8 t -103.18 125.05 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.582 ' CB ' HD23 ' A' ' 53' ' ' LEU . 12.2 m-20 -85.18 102.62 13.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.895 HD12 ' CD2' ' A' ' 60' ' ' TYR . 7.7 pt -80.88 -2.2 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.586 ' C ' HD22 ' A' ' 53' ' ' LEU . 41.2 p -81.74 6.92 13.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.598 HD22 ' N ' ' A' ' 53' ' ' LEU . 0.8 OUTLIER -104.79 159.01 30.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.418 ' HA ' ' HB2' ' A' ' 57' ' ' SER . 18.3 Cg_endo -75.03 -28.33 9.21 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.501 1.79 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 6.5 pt-20 -66.08 -38.74 89.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 25.7 m-20 -99.55 7.59 45.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 56' ' ' ASN . 33.3 t -37.52 -33.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 56' ' ' ASN . 4.4 m -63.65 -54.44 35.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.692 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 58.0 m95 -48.07 -32.59 6.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 107.998 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.895 ' CD2' HD12 ' A' ' 51' ' ' ILE . 24.2 t80 -81.84 -52.98 6.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.433 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 2.1 mt-10 -51.44 -20.98 2.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.57 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 11.2 ptm180 -99.42 -31.7 11.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.277 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.57 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 27.2 m-85 -134.32 71.13 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.962 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -105.09 -11.68 16.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -138.65 11.26 2.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.499 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -123.97 29.19 6.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.909 HD12 ' HG2' ' A' ' 24' ' ' LYS . 0.6 OUTLIER -107.62 162.37 20.0 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.529 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.4 Cg_endo -75.0 148.05 90.79 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.956 -2.519 . . . . 0.0 111.019 -0.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 66' ' ' ASP . 54.9 t -105.63 152.66 7.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.869 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 96.5 m-85 -137.32 118.26 14.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.56 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 35.6 m170 -112.34 117.46 32.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.592 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.86 HD13 HD11 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -101.22 115.32 30.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 69.32 28.99 4.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.89 35.41 54.35 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.16 120.37 9.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.56 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -40.81 106.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.661 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -86.24 -42.67 13.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.559 ' HE2' HD21 ' A' ' 77' ' ' LEU . 9.0 ptt? -176.48 149.21 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.521 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 2.9 ptt? -144.65 157.07 44.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.521 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 3.0 m170 87.52 10.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.6 OUTLIER 162.15 -167.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.869 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 12.8 t -137.01 88.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.6 m120 -83.21 82.3 8.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 83' ' ' ASN . 12.8 p -37.06 -53.72 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 110.374 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.5 t -39.82 -47.81 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -65.0 -61.75 1.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.7 tp -40.23 -65.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -40.76 -57.92 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.21 -56.02 2.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.083 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -58.93 -53.8 54.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.709 HD21 ' HD2' ' A' ' 44' ' ' PHE . 33.1 mt -45.04 -53.66 7.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -38.4 -53.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -111.28 -87.24 0.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.86 HD11 HD13 ' A' ' 72' ' ' LEU . 1.4 mt 76.67 -52.77 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.0 t 49.14 88.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.037 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -115.73 157.38 15.05 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 81.0 2.31 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.781 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.2 p -99.29 117.62 34.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.951 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.0 m -153.46 104.31 2.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.3 m 63.83 133.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 0.753 . . . . 0.0 110.04 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 m -159.42 -58.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.014 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.01 136.28 4.73 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.431 1.082 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 t 58.19 80.01 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 0.773 . . . . 0.0 109.991 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.66 162.31 32.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.045 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.04 61.0 0.65 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.539 1.149 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -85.18 141.25 30.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.4 mt -111.62 -64.3 1.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.91 -59.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.08 . . . . 0.0 109.972 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 61.01 160.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.7 t -166.74 152.68 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.946 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -152.28 136.49 16.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.6 mtt85 -130.8 139.08 50.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 64.96 133.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.4 mt -108.72 157.51 36.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 179.43 6.09 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.1 t -121.76 113.02 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.894 HD23 HD13 ' A' ' 46' ' ' LEU . 8.4 tp -96.67 111.53 23.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 m -81.19 101.66 9.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.637 HD23 ' HG3' ' A' ' 48' ' ' GLU . 6.2 tp -96.23 122.23 38.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.702 ' HE1' HG11 ' A' ' 49' ' ' VAL . 72.1 m-85 -111.51 103.89 12.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.473 HG21 ' HE3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -114.45 171.76 7.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.379 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.591 ' HG2' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -156.78 -177.37 6.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.535 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -155.09 145.92 16.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -75.01 134.12 34.49 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.993 0.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.436 ' N ' ' HA ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -161.44 112.14 1.23 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 108.301 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 29' ' ' LEU . 18.4 Cg_endo -74.96 -51.0 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.486 1.782 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' PRO . 7.4 mt -39.42 -60.88 0.87 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.43 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 82.1 m -41.63 -67.03 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 108.294 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' CYS . 3.0 m-20 -40.13 -58.37 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -53.19 -56.33 17.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.634 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -36.68 -58.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.526 ' CG ' HD21 ' A' ' 21' ' ' LEU . 6.8 mttt -46.5 -50.6 16.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 32' ' ' GLU . 7.7 mt-10 -53.77 -26.49 23.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 33' ' ' ALA . 14.8 t -81.88 -19.29 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.574 HD11 ' CE2' ' A' ' 70' ' ' PHE . 14.5 mt -100.91 -2.88 30.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -48.0 -51.81 45.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.343 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -74.94 -1.07 10.72 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.462 1.77 . . . . 0.0 111.0 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.575 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 96.2 m-85 -120.89 24.18 10.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 10.4 mtpt -81.92 -40.85 21.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.43 -13.19 52.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.485 ' HD2' HD13 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -70.8 -25.25 62.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.746 ' HD2' HD21 ' A' ' 91' ' ' LEU . 5.6 p90 -164.54 -172.26 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.8 mt -100.63 98.98 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.894 HD13 HD23 ' A' ' 19' ' ' LEU . 44.7 tp -75.22 107.59 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 21' ' ' LEU . 5.3 tt0 -93.62 98.48 11.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.637 ' HG3' HD23 ' A' ' 21' ' ' LEU . 3.9 mt-10 -80.6 101.97 9.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.702 HG11 ' HE1' ' A' ' 22' ' ' PHE . 76.2 t -90.74 138.45 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.406 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 1.0 OUTLIER -97.43 103.14 15.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.776 HD12 ' CD2' ' A' ' 60' ' ' TYR . 13.0 pt -82.52 -14.52 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.452 HG22 ' HB2' ' A' ' 24' ' ' LYS . 69.3 p -71.12 -5.6 32.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.431 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.8 mt -83.55 160.38 59.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -39.88 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -65.91 -39.29 90.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.424 ' C ' ' N ' ' A' ' 58' ' ' THR . 83.7 m-20 -88.34 5.98 39.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.4 t -42.94 -27.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.995 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.424 ' N ' ' C ' ' A' ' 56' ' ' ASN . 1.9 m -65.54 -58.96 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.631 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 59.9 m95 -44.69 -33.5 1.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.776 ' CD2' HD12 ' A' ' 51' ' ' ILE . 29.5 t80 -78.96 -53.02 7.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -53.43 -18.82 2.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.604 ' NE ' ' CE2' ' A' ' 63' ' ' TYR . 9.3 ptm180 -102.34 -30.11 11.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.604 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 28.4 m-85 -138.82 76.24 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 4.5 pttt -114.6 -3.25 12.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -139.48 12.18 2.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 67' ' ' ILE . 2.1 m-20 -114.64 -41.58 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.685 ' CD1' HD11 ' A' ' 51' ' ' ILE . 1.7 pt -36.86 155.41 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.99 130.83 22.32 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.012 -0.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.557 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 98.1 t -97.4 138.97 20.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.951 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 88.6 m-85 -122.91 119.64 31.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.579 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 41.4 m170 -114.82 117.23 30.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.608 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 1.07 HD13 HD11 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -105.44 121.6 44.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.858 ' ND2' HD22 ' A' ' 94' ' ' LEU . 19.3 m-80 62.19 50.76 3.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 50.49 41.35 41.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.95 121.71 5.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.295 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.579 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.9 OUTLIER -44.15 108.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.7 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -83.74 -45.75 13.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.439 ' HE2' HD21 ' A' ' 77' ' ' LEU . 8.8 ptt? -174.76 149.78 1.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.579 ' HG3' ' CE1' ' A' ' 80' ' ' HIS . 5.4 ptp -145.96 163.17 36.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 111.067 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.579 ' CE1' ' HG3' ' A' ' 79' ' ' MET . 6.7 m170 87.91 9.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.635 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 158.19 -170.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 110.272 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.951 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 12.4 t -125.87 89.37 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 86' ' ' LYS . 38.4 m-20 -87.81 79.72 8.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 85' ' ' SER . 66.6 p -37.07 -57.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.377 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.3 OUTLIER -37.06 -42.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.991 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -70.2 -54.91 10.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.54 HD11 HD11 ' A' ' 91' ' ' LEU . 3.8 tp -50.03 -64.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.409 ' HA ' HD12 ' A' ' 91' ' ' LEU . 5.1 mt-10 -42.11 -52.77 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -46.84 -55.52 7.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 91' ' ' LEU . 24.6 mm-40 -55.38 -56.08 24.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.746 HD21 ' HD2' ' A' ' 44' ' ' PHE . 16.9 mt -39.58 -59.34 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 -39.08 -55.62 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -110.95 102.18 10.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.07 HD11 HD13 ' A' ' 72' ' ' LEU . 7.5 mt -161.62 -58.76 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.82 -65.29 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.118 . . . . 0.0 110.012 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.72 177.68 26.99 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 59.31 5.13 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.5 t -54.18 111.26 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.94 149.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -123.13 151.98 41.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 109.985 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.6 p -120.11 164.16 16.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.001 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.88 94.3 0.28 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 t -128.78 -58.49 1.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 0.0 110.023 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t -160.33 98.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.9 159.44 13.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -124.63 155.93 38.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.6 118.49 7.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.1 t -179.16 111.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -146.89 148.69 32.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.8 m -159.54 143.35 14.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -151.32 128.74 11.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -148.59 135.29 19.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 63.25 142.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.0 mt -95.71 157.29 36.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.359 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 164.83 32.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.5 t -108.08 110.16 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.708 HD11 HD23 ' A' ' 77' ' ' LEU . 8.7 tp -95.24 113.83 25.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -80.8 109.44 15.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.359 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.665 ' HB2' HD11 ' A' ' 46' ' ' LEU . 1.2 tp -102.49 118.84 37.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.68 ' HE1' HG11 ' A' ' 49' ' ' VAL . 67.2 m-85 -108.25 102.02 11.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -108.79 168.7 9.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.929 ' HG2' HD12 ' A' ' 67' ' ' ILE . 3.3 ptmt -157.54 -176.68 6.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.546 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -153.71 144.82 16.26 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.1 Cg_endo -75.06 140.4 67.02 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.965 0.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 16.2 t -161.41 100.07 1.24 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 108.302 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -12.46 21.43 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.534 1.807 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.4 mt -76.31 -47.73 22.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 31' ' ' ASP . 11.7 p -44.39 -41.89 6.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 108.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.467 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 2.1 m-20 -56.82 -64.33 0.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.941 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.5 tt0 -49.06 -53.64 19.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.743 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -40.56 -64.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 37' ' ' LEU . 26.3 mttt -46.77 -52.04 14.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -53.49 -25.9 18.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.941 HG23 ' O ' ' A' ' 32' ' ' GLU . 5.1 t -82.45 -19.3 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.537 HD11 ' CE2' ' A' ' 70' ' ' PHE . 14.3 mt -99.89 -3.65 31.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.486 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -47.82 -52.63 37.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.2 Cg_endo -74.98 1.95 7.16 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.572 1.827 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.561 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 93.8 m-85 -121.61 11.54 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 5.1 mmtm -65.71 -50.95 63.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.77 -10.4 59.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -69.95 -30.85 68.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.631 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 1.6 p90 -161.2 -175.6 4.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.9 mt -97.05 99.83 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.665 HD11 ' HB2' ' A' ' 21' ' ' LEU . 41.2 tp -74.16 107.41 6.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -93.88 98.58 11.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -79.19 105.92 10.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.68 HG11 ' HE1' ' A' ' 22' ' ' PHE . 76.5 t -97.91 126.99 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -87.3 103.02 15.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.255 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.732 HG22 ' HB3' ' A' ' 59' ' ' TRP . 19.7 pt -80.96 -16.15 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.5 p -69.63 -13.46 62.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.8 mt -74.03 158.13 86.13 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -37.74 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -72.25 -18.72 61.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -108.53 7.0 26.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.369 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.6 t -46.43 -31.52 2.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.557 1.16 . . . . 0.0 109.982 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.6 m -62.49 -49.79 74.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.732 ' HB3' HG22 ' A' ' 51' ' ' ILE . 25.8 m95 -54.32 -32.56 56.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 107.969 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.637 ' CD2' HD12 ' A' ' 51' ' ' ILE . 38.0 t80 -80.16 -55.56 4.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 111.052 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -46.58 -30.27 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.576 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -90.4 -35.13 15.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.576 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 27.4 m-85 -130.83 70.56 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -104.44 -17.24 14.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -132.52 9.54 4.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.507 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -121.92 29.86 6.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.929 HD12 ' HG2' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -109.17 162.4 20.23 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.527 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.2 Cg_endo -75.05 149.16 93.29 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.974 0.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.567 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 64.6 t -106.27 153.77 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.762 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 94.6 m-85 -137.92 121.39 17.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.567 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 35.8 m170 -113.68 118.63 34.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 109.584 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.79 HD13 HD11 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -101.18 115.58 30.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.22 28.51 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.03 39.57 45.45 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.563 1.164 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.03 121.22 6.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 110.318 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.469 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.7 OUTLIER -39.11 111.29 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.708 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -93.74 -41.79 9.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.4 ' HE2' HD21 ' A' ' 77' ' ' LEU . 9.6 ptt? -176.25 148.26 0.77 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.509 ' SD ' ' NE2' ' A' ' 80' ' ' HIS . 2.4 ptt? -143.94 155.36 44.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.509 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 1.7 m170 87.52 9.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.612 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.438 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 3.6 mtt85 163.24 -167.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.243 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.762 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 82.4 t -135.69 83.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.9 m120 -75.9 80.31 2.8 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' ASN . 3.4 p -36.97 -53.28 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.07 -47.63 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.977 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER -66.5 -61.61 1.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.8 tp -42.45 -66.82 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -42.65 -53.17 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.66 -42.47 56.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 94' ' ' LEU . 69.3 mm-40 -67.86 -46.46 71.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.31 -35.49 75.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.9 -26.7 67.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.082 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 2.0 mmpt? -135.54 -84.59 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.79 HD11 HD13 ' A' ' 72' ' ' LEU . 2.9 mt 74.67 -53.97 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 61.6 p -51.17 123.04 8.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.965 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -125.07 157.75 19.38 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 58.65 4.98 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.798 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.9 t -58.52 137.41 57.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.6 t -137.22 93.87 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.966 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.87 119.35 38.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.948 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.73 168.64 10.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.47 -178.55 46.79 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 0.0 111.05 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.0 p -118.36 148.17 42.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 0.749 . . . . 0.0 109.996 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.09 91.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.027 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.6 80.36 0.33 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.451 1.095 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -151.02 168.02 25.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.267 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.4 tp -74.27 77.33 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 t -170.82 170.83 6.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.994 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -131.59 120.2 22.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.3 p -176.34 139.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -130.5 119.84 23.22 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -107.98 177.13 4.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -173.3 142.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.2 mt -87.46 157.32 53.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 162.09 37.79 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.2 t -103.67 124.77 58.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.664 HD11 HD23 ' A' ' 77' ' ' LEU . 7.2 tp -110.8 113.52 26.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 m -79.96 114.2 18.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.619 HD12 ' N ' ' A' ' 22' ' ' PHE . 2.2 tp -107.57 121.74 45.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.624 ' HE1' HG11 ' A' ' 49' ' ' VAL . 64.5 m-85 -111.48 99.22 8.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.463 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -111.75 172.33 6.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.517 ' HG2' HD12 ' A' ' 67' ' ' ILE . 1.4 pttt -159.39 -177.56 6.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.537 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -152.89 144.51 16.45 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.02 137.63 51.45 Favored 'Cis proline' 0 C--N 1.361 1.2 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.013 0.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -162.54 108.81 1.08 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 108.318 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -43.25 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 111.047 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.2 mt -50.82 -60.58 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 57.7 m -41.74 -66.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 108.354 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -41.32 -54.99 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.457 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.5 tt0 -54.39 -53.44 54.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.747 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -37.55 -59.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.51 ' CG ' HD21 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -45.96 -51.22 13.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -53.41 -28.65 30.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 32' ' ' GLU . 16.7 t -79.83 -20.97 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.588 HD11 ' CE2' ' A' ' 70' ' ' PHE . 15.1 mt -99.01 16.79 21.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.514 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -65.12 -50.86 58.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.06 0.92 8.35 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.467 1.772 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.51 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 75.8 m-85 -123.26 7.06 9.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.94 -32.48 73.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.32 -15.05 23.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.252 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.446 ' CG ' ' HA ' ' A' ' 40' ' ' TYR . 6.0 mmp_? -69.26 -9.15 51.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.553 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 3.7 p90 178.5 -179.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.2 mt -96.17 99.7 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.629 HD13 HD23 ' A' ' 19' ' ' LEU . 56.7 tp -71.67 111.32 6.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.13 102.89 15.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -83.47 98.89 9.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.264 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.624 HG11 ' HE1' ' A' ' 22' ' ' PHE . 87.8 t -92.54 132.48 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.14 103.39 15.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.787 HD12 ' CD2' ' A' ' 60' ' ' TYR . 13.9 pt -81.96 -14.96 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.461 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 73.5 p -69.67 -6.07 29.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.401 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.9 mt -86.09 158.18 55.94 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -37.81 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.464 1.771 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.55 -26.74 68.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -104.12 7.22 36.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.1 t -40.11 -34.62 0.31 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.556 ' CG2' ' NH2' ' A' ' 62' ' ' ARG . 1.2 m -62.24 -56.92 13.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 110.418 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.6 ' HB3' HG22 ' A' ' 51' ' ' ILE . 23.0 m95 -45.11 -36.97 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 107.984 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.787 ' CD2' HD12 ' A' ' 51' ' ' ILE . 27.7 t80 -79.6 -48.22 14.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.22 -17.48 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.568 ' HD2' ' CE2' ' A' ' 63' ' ' TYR . 1.7 ptp180 -105.58 -28.39 10.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.568 ' CE2' ' HD2' ' A' ' 62' ' ' ARG . 24.4 m-85 -136.46 74.64 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.577 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 0.9 OUTLIER -113.27 -10.31 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.419 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 1.0 OUTLIER -133.75 6.54 3.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.691 ' HB3' ' HE2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -106.7 -46.71 3.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.689 HD13 ' CD1' ' A' ' 51' ' ' ILE . 4.9 pt -35.6 156.53 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.4 Cg_endo -74.95 133.2 30.31 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.003 -0.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.572 HG22 ' HB2' ' A' ' 79' ' ' MET . 73.0 t -103.76 144.94 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.919 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 92.8 m-85 -127.59 125.1 39.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.564 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 41.9 m170 -115.95 121.66 42.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.596 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.986 ' CD1' HD11 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -109.1 120.28 42.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.854 HD22 HD13 ' A' ' 94' ' ' LEU . 3.2 m-80 65.27 37.65 6.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.21 36.92 94.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -148.53 120.6 8.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 110.281 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.508 ' CG ' ' O ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -41.1 106.27 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.098 . . . . 0.0 111.005 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.664 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -84.26 -46.12 12.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -175.73 151.41 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.622 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 4.1 ptt? -147.81 162.64 38.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.691 ' HE2' ' HB3' ' A' ' 66' ' ' ASP . 5.5 m170 87.1 9.25 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.558 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.4 OUTLIER 161.98 -167.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.919 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 40.2 t -133.49 81.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.9 m120 -78.78 81.14 5.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 83' ' ' ASN . 1.4 p -36.69 -55.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.1 -44.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 110.0 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER -67.82 -62.29 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 86' ' ' LYS . 8.9 tp -39.45 -66.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -43.64 -54.95 4.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.94 -53.62 6.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 86' ' ' LYS . 3.2 mp0 -56.5 -54.14 49.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 91.6 mt -41.95 -59.18 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -37.63 -52.86 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -138.81 119.32 13.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.986 HD11 ' CD1' ' A' ' 72' ' ' LEU . 5.6 mt -126.65 -72.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.4 p 60.47 152.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.0 164.96 37.11 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.559 1.162 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 126.94 10.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.531 1.806 . . . . 0.0 111.03 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.2 p -56.65 158.04 4.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.1 t -66.43 -59.65 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 t 64.57 142.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 0.759 . . . . 0.0 109.966 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t 66.04 121.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 0.0 110.037 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.42 74.26 0.02 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.436 1.085 . . . . 0.0 111.043 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 p -175.02 102.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 110.05 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.9 -52.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.965 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.43 167.86 2.0 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.099 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.4 ' ND2' ' H ' ' A' ' 9' ' ' LEU . 5.6 t30 -132.34 -179.29 5.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 0.761 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.726 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -160.15 151.04 18.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.6 p -146.2 165.49 29.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.98 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.6 172.51 11.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.9 m -134.71 123.53 23.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.99 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -179.42 132.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.84 158.89 15.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -163.45 140.17 7.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.5 mt -105.81 157.33 34.92 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 163.62 34.96 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.47 1.774 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.0 t -106.76 115.54 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.736 HD23 HD13 ' A' ' 46' ' ' LEU . 7.9 tp -100.66 112.21 24.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -79.6 109.6 14.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.64 HD23 ' HG3' ' A' ' 48' ' ' GLU . 5.7 tp -103.01 122.18 44.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.24 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.632 ' HE1' HG11 ' A' ' 49' ' ' VAL . 70.9 m-85 -110.38 99.52 8.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.481 HG21 ' HE3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -105.43 172.23 6.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.408 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.615 ' HG2' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -163.25 -176.52 4.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.529 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -156.7 144.25 13.93 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.03 135.55 41.03 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.0 0.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.411 ' N ' ' HA ' ' A' ' 25' ' ' ALA . 0.8 OUTLIER -161.78 109.53 1.18 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 108.305 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.95 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 30' ' ' CYS . 10.4 mp -58.09 -63.63 1.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 59.7 m -41.75 -41.4 2.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 108.283 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -65.23 -61.48 2.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.557 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -51.98 -48.21 64.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.339 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.776 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -37.79 -61.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.524 ' HG2' HD21 ' A' ' 21' ' ' LEU . 1.1 mttt -46.44 -50.59 16.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -54.76 -26.98 37.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 32' ' ' GLU . 18.0 t -82.91 -19.8 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.582 HD11 ' CE2' ' A' ' 70' ' ' PHE . 14.0 mt -99.55 2.39 44.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.481 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -51.18 -52.77 55.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.05 -0.6 10.19 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.415 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 96.6 m-85 -119.06 19.97 12.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 44' ' ' PHE . 78.4 mttt -77.91 -53.73 7.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -72.96 -12.9 61.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.541 ' CZ ' ' HA ' ' A' ' 43' ' ' ARG . 0.5 OUTLIER -67.44 -48.72 66.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.088 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.831 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.6 p90 -142.03 -174.66 4.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.6 mt -96.1 99.17 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.736 HD13 HD23 ' A' ' 19' ' ' LEU . 41.1 tp -75.54 107.61 7.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -93.76 98.22 10.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.64 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -78.81 105.37 10.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.632 HG11 ' HE1' ' A' ' 22' ' ' PHE . 89.3 t -96.79 130.69 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.465 ' HB2' HD12 ' A' ' 53' ' ' LEU . 2.5 m-20 -91.49 102.66 15.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.7 HD11 ' CD1' ' A' ' 67' ' ' ILE . 17.3 pt -80.0 -23.7 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 13.3 p -61.59 -13.66 23.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.385 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 50' ' ' ASP . 60.9 mt -76.25 158.41 81.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -44.58 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.07 -16.85 62.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -112.31 6.95 19.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.4 t -48.77 -23.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.9 m -69.49 -41.81 75.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.4 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.631 ' HB3' HG22 ' A' ' 51' ' ' ILE . 43.5 m95 -63.41 -30.72 71.81 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.662 ' CD2' HD12 ' A' ' 51' ' ' ILE . 36.4 t80 -82.98 -51.31 7.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -51.74 -20.31 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.527 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 12.8 ptm180 -102.01 -32.5 10.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.267 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.527 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 21.9 m-85 -133.5 74.71 1.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 1.1 pttt -112.83 -7.41 13.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -135.88 15.29 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.655 ' HB3' ' HE2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -114.87 -45.73 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.7 ' CD1' HD11 ' A' ' 51' ' ' ILE . 1.1 pt -35.53 155.64 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.98 131.6 24.76 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.038 -2.484 . . . . 0.0 111.008 -0.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.574 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 92.7 t -101.03 143.57 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.915 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 93.5 m-85 -127.61 121.99 31.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.574 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 42.8 m170 -115.25 119.37 36.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.63 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 1.011 HD13 HD11 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -106.23 120.65 42.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.756 ' ND2' HD13 ' A' ' 94' ' ' LEU . 12.9 m-80 62.58 53.47 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 48.68 41.02 26.2 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -155.06 119.65 4.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.756 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.572 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -41.35 116.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.724 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -93.17 -43.04 9.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -178.52 151.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.62 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 4.0 ptt? -149.18 162.93 39.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.655 ' HE2' ' HB3' ' A' ' 66' ' ' ASP . 5.5 m170 87.77 10.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.601 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.459 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 161.58 -169.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.915 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 40.4 t -132.67 83.57 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 86' ' ' LYS . 4.6 m-20 -85.79 80.43 8.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 83' ' ' ASN . 32.5 p -36.24 -50.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.3 OUTLIER -38.54 -46.61 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -68.13 -59.58 3.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.508 HD21 ' HE2' ' A' ' 44' ' ' PHE . 9.6 tp -45.95 -65.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.65 -53.37 2.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -45.88 -54.04 8.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 91' ' ' LEU . 34.3 mm-40 -58.82 -54.77 43.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.831 HD21 ' HD2' ' A' ' 44' ' ' PHE . 20.6 mt -39.39 -59.53 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.9 mtp-105 -39.9 -59.13 1.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -130.4 121.89 26.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.011 HD11 HD13 ' A' ' 72' ' ' LEU . 5.4 mt -131.22 -64.01 0.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.44 144.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 175.21 -179.09 46.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 99' ' ' SER . 18.3 Cg_endo -75.02 -35.65 2.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.442 1.759 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.3 t 69.65 -65.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.981 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 97' ' ' PRO . 0.4 OUTLIER 58.42 96.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 110.009 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.71 100.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 0.729 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.72 152.83 22.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.41 -133.87 3.41 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 p -148.64 165.03 32.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.54 154.01 23.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.969 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.49 167.05 37.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -156.61 104.84 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.781 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -168.62 110.31 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.34 89.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.035 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.33 166.07 25.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -160.03 93.6 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.044 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -141.61 103.79 4.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.253 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.45 141.69 30.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.63 123.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.1 mt -90.1 157.36 45.63 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.098 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 154.18 42.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.449 1.763 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -98.52 110.25 25.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.749 HD11 HD23 ' A' ' 77' ' ' LEU . 7.1 tp -94.71 112.07 23.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -79.35 115.48 19.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 110.406 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.589 HD21 ' CG ' ' A' ' 34' ' ' LYS . 8.6 tp -111.14 122.87 49.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.792 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 83.5 m-85 -111.35 109.81 19.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -121.51 157.82 29.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.35 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.641 ' HD3' HD11 ' A' ' 67' ' ' ILE . 1.4 ptmt -147.14 120.32 8.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.508 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -87.68 137.94 31.78 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.02 164.62 87.97 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.959 0.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 24' ' ' LYS . 1.9 p -171.02 107.84 0.41 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 108.312 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -27.03 10.44 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.454 1.765 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.446 ' C ' ' N ' ' A' ' 31' ' ' ASP . 16.2 mt -85.74 -66.3 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 57.1 m -43.34 -28.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 108.291 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.446 ' N ' ' C ' ' A' ' 29' ' ' LEU . 2.0 t0 -71.59 -50.72 28.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.669 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -68.13 -43.57 78.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.671 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -40.96 -59.26 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.589 ' CG ' HD21 ' A' ' 21' ' ' LEU . 3.8 mtpm? -46.76 -51.11 17.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -54.73 -25.57 28.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 32' ' ' GLU . 11.3 t -82.1 -18.49 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.582 HD11 ' CE1' ' A' ' 70' ' ' PHE . 15.0 mt -100.69 -1.12 36.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -49.8 -51.96 55.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.4 Cg_endo -74.96 0.11 9.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.467 1.772 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.449 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 97.7 m-85 -118.71 13.43 13.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 44' ' ' PHE . 2.0 mtpt -69.59 -50.84 40.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.16 -8.01 56.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -73.79 -36.04 64.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.841 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.4 p90 -156.32 -175.64 5.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.9 mt -96.14 99.64 9.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.645 HD13 HD23 ' A' ' 19' ' ' LEU . 42.5 tp -75.76 106.99 7.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -93.62 98.16 10.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.243 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.556 ' HG3' HD23 ' A' ' 21' ' ' LEU . 1.1 mt-10 -79.62 105.39 10.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.709 HG11 ' HE1' ' A' ' 22' ' ' PHE . 96.1 t -93.42 142.85 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.44 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -102.83 102.92 13.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.714 HG22 ' HB3' ' A' ' 59' ' ' TRP . 24.6 pt -79.91 -17.49 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 36.1 p -69.49 -7.14 35.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.7 mt -82.6 160.04 62.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -39.86 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -74.22 -12.24 60.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 93.7 m-20 -113.41 7.18 17.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.3 t -51.91 -20.78 2.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 m -74.07 -36.9 64.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.393 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.792 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 74.7 m95 -70.13 -12.97 61.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 107.995 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.597 ' CD2' HD12 ' A' ' 51' ' ' ILE . 32.4 t80 -95.0 -57.18 2.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.72 -20.28 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.256 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.569 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 11.0 ptm180 -97.17 -32.04 12.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.569 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 23.4 m-85 -136.58 69.98 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HB2' ' CE1' ' A' ' 60' ' ' TYR . 0.7 OUTLIER -106.18 -13.81 15.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -140.35 12.28 2.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.442 ' HB3' ' NE2' ' A' ' 80' ' ' HIS . 0.7 OUTLIER -123.45 27.7 7.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.641 HD11 ' HD3' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -103.47 163.92 16.48 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.584 ' HA ' HG22 ' A' ' 67' ' ' ILE . 18.2 Cg_endo -75.04 151.93 97.5 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.975 0.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.563 HG21 ' CG ' ' A' ' 63' ' ' TYR . 57.6 t -107.3 149.17 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.966 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 97.7 m-85 -137.37 118.05 14.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 36.0 m170 -112.4 118.76 36.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.593 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.929 HD13 HD22 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -105.27 115.44 30.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.53 29.37 3.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.31 37.5 63.07 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.075 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 76' ' ' PHE . 2.0 mt-30 -149.13 116.0 5.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 0.73 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.558 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -36.45 104.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 111.032 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.749 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -82.67 -42.1 18.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.499 ' HE2' HD21 ' A' ' 77' ' ' LEU . 9.3 ptt? -177.71 150.16 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.539 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 3.3 ptt? -144.74 160.47 41.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.539 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 4.1 m170 87.85 9.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.622 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 158.47 -169.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.966 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 10.3 t -128.46 87.87 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 84' ' ' THR . 29.9 m-20 -82.38 78.39 9.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.087 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 83' ' ' ASN . 78.0 p -36.61 -50.79 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.425 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.1 m -40.38 -49.59 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -65.94 -57.67 7.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.423 HD11 ' CE2' ' A' ' 44' ' ' PHE . 13.2 tp -46.93 -64.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -43.77 -54.9 4.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -46.97 38.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 91' ' ' LEU . 38.9 mm-40 -62.81 -57.73 9.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.841 HD21 ' HD2' ' A' ' 44' ' ' PHE . 18.9 mt -38.85 -59.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -38.59 -58.66 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 110.314 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -106.17 91.59 3.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.929 HD22 HD13 ' A' ' 72' ' ' LEU . 11.0 tp -168.06 -59.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.1 m -155.65 87.69 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.961 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -141.95 -144.75 4.41 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 156.05 42.95 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.2 t -132.73 -55.95 0.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.1 t -151.12 134.44 16.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.967 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 110.982 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.0 t -167.59 151.43 6.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.016 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.33 170.3 4.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 110.004 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.98 156.09 26.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.05 139.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 0.736 . . . . 0.0 109.965 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -121.93 124.78 44.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.6 134.4 4.61 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -170.36 105.55 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.5 tp -79.94 148.19 31.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.4 m -120.2 143.43 48.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -174.87 159.5 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.4 p -168.34 118.26 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -119.22 164.33 15.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.17 138.29 21.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.252 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 63.87 138.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.5 mt -108.72 157.8 35.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.553 ' HG3' HD23 ' A' ' 94' ' ' LEU . 18.1 Cg_endo -75.06 157.95 42.23 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.557 1.82 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.1 t -100.64 112.29 32.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.896 HD23 HD13 ' A' ' 46' ' ' LEU . 6.1 tp -95.91 112.95 24.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -79.97 118.51 21.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.41 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.677 HD23 ' HG3' ' A' ' 48' ' ' GLU . 5.1 tp -113.38 123.85 51.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.647 ' CE1' HG11 ' A' ' 49' ' ' VAL . 66.3 m-85 -111.41 106.79 15.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.09 160.83 21.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.444 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.564 ' HD3' HD11 ' A' ' 67' ' ' ILE . 0.6 OUTLIER -152.72 120.17 5.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.522 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -86.04 137.67 35.2 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.99 163.32 90.98 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.016 -0.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.527 ' HB3' ' O ' ' A' ' 24' ' ' LYS . 2.7 p -172.48 109.79 0.36 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 108.328 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -38.03 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.783 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.497 ' N ' HD12 ' A' ' 29' ' ' LEU . 5.3 mp -74.6 -65.81 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.414 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 37.5 m -41.41 -30.03 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 108.29 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.442 ' N ' ' C ' ' A' ' 29' ' ' LEU . 4.7 m-20 -72.69 -53.36 11.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.704 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -65.14 -41.23 94.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.267 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.737 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -43.2 -59.23 2.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.49 ' CG ' HD21 ' A' ' 21' ' ' LEU . 4.9 mtpm? -46.35 -50.11 16.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -55.4 -28.94 57.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 32' ' ' GLU . 8.9 t -79.53 -17.28 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.559 HD11 ' CE2' ' A' ' 70' ' ' PHE . 16.0 mt -103.23 -6.93 21.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.512 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -46.91 -50.96 42.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.2 Cg_endo -75.06 2.77 6.29 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.571 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 97.1 m-85 -121.91 6.83 9.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -60.5 -41.4 94.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.83 -14.55 44.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -70.27 -20.5 63.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.749 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.9 p90 -172.71 177.48 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.06 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.6 mt -92.6 100.73 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.896 HD13 HD23 ' A' ' 19' ' ' LEU . 39.3 tp -76.58 108.53 9.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -93.57 98.22 11.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.677 ' HG3' HD23 ' A' ' 21' ' ' LEU . 2.1 mt-10 -80.25 106.41 12.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.647 HG11 ' CE1' ' A' ' 22' ' ' PHE . 76.4 t -93.93 143.27 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.92 102.39 12.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.699 HG22 ' HB3' ' A' ' 59' ' ' TRP . 21.5 pt -76.98 -24.04 15.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.8 p -60.33 -14.03 16.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.398 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.2 mt -74.63 153.18 87.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -32.71 5.14 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -75.79 -11.3 59.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' SER . 96.5 m-20 -114.38 7.35 16.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.1 OUTLIER -39.54 -40.79 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -56.6 -53.11 61.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.359 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.699 ' HB3' HG22 ' A' ' 51' ' ' ILE . 24.9 m95 -47.81 -39.27 17.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.167 . . . . 0.0 108.006 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.616 ' CD2' HD12 ' A' ' 51' ' ' ILE . 8.0 t80 -77.07 -49.36 15.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.43 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 2.7 mt-10 -56.56 -16.6 6.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.328 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.654 ' NH1' ' CZ3' ' A' ' 59' ' ' TRP . 6.0 ptp180 -105.57 -28.45 10.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.227 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.568 ' CE2' ' HD2' ' A' ' 62' ' ' ARG . 19.1 m-85 -136.74 74.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.059 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.587 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -110.82 -18.32 13.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -134.76 10.46 3.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.517 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -120.62 29.61 7.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.564 HD11 ' HD3' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -108.41 162.16 20.92 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.526 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.5 Cg_endo -74.94 149.67 94.22 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.011 -0.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.578 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 73.6 t -107.46 152.83 8.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.969 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 96.9 m-85 -138.37 124.15 19.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.578 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 31.4 m170 -115.71 118.11 32.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.581 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.888 HD22 HD21 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -104.5 111.39 24.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 73.21 28.87 1.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.97 40.61 56.81 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -151.92 119.8 6.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 0.746 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.429 ' O ' ' CG ' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -39.55 102.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.598 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -83.23 -42.93 16.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.591 ' HE2' HD21 ' A' ' 77' ' ' LEU . 8.8 ptt? -176.71 149.48 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.523 ' SD ' ' NE2' ' A' ' 80' ' ' HIS . 3.1 ptt? -144.79 158.17 43.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.523 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 3.4 m170 87.93 9.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.573 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 162.69 -170.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.969 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 21.3 t -129.61 84.14 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -75.4 77.65 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.8 p -38.08 -53.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.7 m -40.28 -52.72 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.977 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -61.76 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.5 tp -40.12 -68.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.448 ' HA ' HD12 ' A' ' 91' ' ' LEU . 1.8 mt-10 -42.85 -54.28 4.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.298 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.39 -48.31 7.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 91' ' ' LEU . 34.8 mm-40 -65.99 -52.6 47.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.749 HD21 ' HD2' ' A' ' 44' ' ' PHE . 27.9 mt -37.56 -60.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 60.1 mtt-85 -40.86 -62.79 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.6 90.24 4.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.888 HD21 HD22 ' A' ' 72' ' ' LEU . 11.3 tp -161.64 -64.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.46 151.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.043 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -50.93 -177.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 59.65 5.25 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.53 1.805 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 56.7 m -152.83 77.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.013 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.23 -58.65 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t 179.54 114.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.6 t -161.14 141.98 11.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.72 139.92 3.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 m -170.42 118.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 109.988 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 m -143.39 149.92 38.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.958 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.11 -168.93 20.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.6 t30 178.23 142.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -165.13 167.84 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.3 m 57.13 166.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -123.51 156.57 35.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.1 p -105.33 124.37 49.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.162 . . . . 0.0 110.063 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -107.89 162.04 14.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.26 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.43 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 2.5 mtp180 -158.54 134.75 9.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 14' ' ' ARG . . . 68.69 123.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 42' ' ' ASP . 28.2 mt -100.54 157.07 34.43 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 163.21 35.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 84.4 t -106.22 113.77 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.741 HD11 HD23 ' A' ' 77' ' ' LEU . 5.7 tp -99.79 112.19 24.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -77.98 124.15 27.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.601 ' HB2' HD11 ' A' ' 46' ' ' LEU . 4.2 tp -117.54 122.25 43.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.813 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 81.0 m-85 -112.43 104.86 13.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.526 HG21 ' HE2' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -114.79 168.89 9.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.372 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.529 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 3.9 pttt -159.68 121.38 3.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.53 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -88.02 138.43 30.95 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -74.96 165.23 86.46 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.967 -0.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 24' ' ' LYS . 3.8 p -173.78 104.17 0.3 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 108.32 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -24.02 13.23 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' GLU . 16.9 mt -86.04 -65.12 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.0 m -44.88 -37.13 3.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 108.248 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -63.6 -46.2 86.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -71.41 -46.63 59.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.732 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -37.38 -58.31 0.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.534 ' CG ' HD21 ' A' ' 21' ' ' LEU . 10.2 mttt -46.51 -50.19 17.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 32' ' ' GLU . 10.2 mt-10 -55.17 -27.76 48.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 32' ' ' GLU . 16.2 t -80.05 -18.3 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' A' ' 70' ' ' PHE . 16.7 mt -102.04 14.49 31.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.515 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -64.85 -50.94 60.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.03 2.1 7.02 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.471 ' HA ' ' CG ' ' A' ' 43' ' ' ARG . 85.7 m-85 -122.35 1.13 9.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -30.51 64.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.351 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.514 ' O ' HD13 ' A' ' 16' ' ' LEU . 10.4 t0 -94.4 -18.47 21.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.471 ' CG ' ' HA ' ' A' ' 40' ' ' TYR . 6.1 mmp_? -67.77 -11.54 58.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.722 ' HD2' HD21 ' A' ' 91' ' ' LEU . 3.0 p90 179.23 174.72 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.9 mt -92.25 100.11 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.643 HD13 HD23 ' A' ' 19' ' ' LEU . 58.4 tp -71.92 111.43 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.467 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.69 103.25 15.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 110.288 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.532 ' HG3' HD23 ' A' ' 21' ' ' LEU . 1.5 mt-10 -83.23 100.11 10.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.657 HG11 ' HE1' ' A' ' 22' ' ' PHE . 91.5 t -93.88 137.28 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -97.64 102.85 14.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.593 HD12 ' CD2' ' A' ' 60' ' ' TYR . 15.4 pt -78.11 -19.65 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 15.7 p -65.8 -9.49 28.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.362 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.0 mt -80.77 160.41 66.7 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -42.42 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.444 1.76 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.83 -24.85 65.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -101.29 7.49 42.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.5 t -50.67 -21.75 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -70.64 -46.64 62.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.381 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.813 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 80.6 m95 -63.57 -15.98 59.57 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.593 ' CD2' HD12 ' A' ' 51' ' ' ILE . 39.1 t80 -92.17 -56.86 2.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 34.5 mt-10 -51.76 -19.88 1.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.569 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 10.2 ptm180 -96.87 -35.57 10.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.569 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 22.4 m-85 -131.34 67.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.425 ' NZ ' ' HA ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -100.55 -14.98 17.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -139.85 11.7 2.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.519 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -121.95 34.07 5.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.543 ' CB ' ' HA ' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -109.0 162.77 18.8 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.543 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.96 150.4 95.4 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.996 -0.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.53 HG21 ' CG ' ' A' ' 63' ' ' TYR . 66.2 t -108.73 150.01 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.251 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.971 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 96.7 m-85 -137.49 117.79 13.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.148 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.568 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 27.7 m170 -110.24 119.74 40.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.584 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.784 HD13 ' CD2' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -105.09 118.2 35.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.525 HD22 HD21 ' A' ' 94' ' ' LEU . 9.8 m-80 62.61 54.49 2.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 49.76 41.25 35.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -156.08 120.72 4.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 110.318 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.568 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.2 OUTLIER -42.81 119.83 1.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.741 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -96.95 -44.65 6.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.606 ' HE2' HD21 ' A' ' 77' ' ' LEU . 7.8 ptt? -174.32 149.41 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.491 ' O ' ' CB ' ' A' ' 80' ' ' HIS . 2.3 ptt? -143.36 158.51 43.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.491 ' CB ' ' O ' ' A' ' 79' ' ' MET . 2.3 m170 87.97 10.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.614 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 3.2 mtt85 160.25 -169.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.342 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.971 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 15.8 t -129.68 80.46 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' THR . 23.9 m120 -74.04 77.92 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ASN . 80.5 p -37.8 -51.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.4 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.35 -47.37 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.991 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.36 -59.46 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.7 tp -42.12 -66.39 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -45.92 -52.54 11.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.27 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -50.3 -38.72 42.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 91' ' ' LEU . 69.6 mm-40 -72.78 -55.8 6.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.075 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.722 HD21 ' HD2' ' A' ' 44' ' ' PHE . 17.9 mt -39.7 -60.88 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -39.26 -62.12 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.94 99.88 10.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.784 ' CD2' HD13 ' A' ' 72' ' ' LEU . 7.9 tp -171.02 -67.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 41.63 80.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.04 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.401 ' HA2' ' HD3' ' A' ' 97' ' ' PRO . . . -52.95 142.12 27.76 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.114 . . . . 0.0 111.049 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.401 ' HD3' ' HA2' ' A' ' 96' ' ' GLY . 18.4 Cg_endo -74.95 75.44 3.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 44.59 90.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.06 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 73.8 m 64.62 83.39 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.981 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.485 1.115 . . . . 0.0 111.03 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 p -152.25 80.62 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 0.803 . . . . 0.0 109.955 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.61 90.54 5.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.59 87.57 1.0 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -140.91 103.94 4.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.004 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 p -175.06 146.69 0.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.981 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.14 68.29 0.15 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' SER . 1.0 OUTLIER 55.5 103.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mt 68.2 -69.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 8' ' ' ASN . 21.3 t 65.77 95.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.032 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 13' ' ' ASN . . . -178.54 79.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 m 63.86 -77.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' ALA . 75.7 m-20 -40.98 143.04 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.94 99.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.253 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 63.3 119.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.6 mt -89.56 157.31 47.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.454 ' HB2' ' CD2' ' A' ' 72' ' ' LEU . 18.4 Cg_endo -74.98 169.59 22.29 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.453 1.765 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -111.47 109.88 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.819 HD23 ' CD1' ' A' ' 46' ' ' LEU . 7.0 tp -93.86 110.07 21.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.1 m -81.26 101.07 9.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.352 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.586 ' HB2' HD11 ' A' ' 46' ' ' LEU . 3.5 tp -93.22 118.33 31.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.592 ' HE1' HG11 ' A' ' 49' ' ' VAL . 70.7 m-85 -105.48 100.94 10.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER -117.76 173.53 6.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.437 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.521 ' HG2' HD12 ' A' ' 67' ' ' ILE . 1.9 ptmt -151.39 -174.04 4.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.467 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -142.04 131.16 12.19 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.467 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -74.99 165.61 85.49 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.025 -2.489 . . . . 0.0 110.967 0.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 24' ' ' LYS . 28.5 p -152.89 98.94 2.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 108.284 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -31.75 5.97 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.542 ' N ' ' CD1' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -81.44 -65.41 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 29' ' ' LEU . 35.2 m -41.26 -42.73 2.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 108.333 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.4 -49.5 34.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.519 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -75.9 -48.29 21.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.553 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -37.94 -58.83 0.89 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -46.25 -51.52 14.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -54.03 -27.27 31.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 32' ' ' GLU . 14.3 t -79.59 -17.96 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.567 HD11 ' CE2' ' A' ' 70' ' ' PHE . 12.0 mt -100.73 14.06 32.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.503 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -62.78 -50.98 75.1 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -74.99 -4.69 15.78 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.503 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 88.6 m-85 -117.81 14.74 14.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -31.03 68.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -99.83 -14.12 18.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.479 ' CG ' ' HA ' ' A' ' 40' ' ' TYR . 5.4 mmp_? -65.89 -21.73 66.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.742 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.6 p90 -168.09 -179.23 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.4 mt -95.04 99.55 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.819 ' CD1' HD23 ' A' ' 19' ' ' LEU . 36.4 tp -75.47 106.03 6.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' LEU . 10.5 tt0 -93.8 98.52 11.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -78.56 101.27 7.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.592 HG11 ' HE1' ' A' ' 22' ' ' PHE . 82.6 t -89.61 138.9 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.413 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 37.1 m-20 -96.24 103.28 15.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.754 HD11 ' CD1' ' A' ' 67' ' ' ILE . 14.7 pt -83.84 -11.01 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 60.4 p -75.78 -6.29 49.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.41 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.3 mt -83.47 159.86 60.55 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.89 2.31 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.483 1.78 . . . . 0.0 111.033 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -72.63 -22.31 60.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 88.8 m-20 -105.93 0.39 25.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.5 t -44.72 -27.27 0.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.1 m -64.48 -45.46 87.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.6 ' HB3' HG22 ' A' ' 51' ' ' ILE . 52.9 m95 -61.44 -27.5 68.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 107.999 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.656 ' CD2' HD12 ' A' ' 51' ' ' ILE . 38.4 t80 -83.51 -53.61 5.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -50.78 -21.16 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.569 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 9.8 ptm180 -100.33 -33.37 10.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.569 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 23.1 m-85 -134.79 75.05 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 2.6 pttt -113.14 -7.6 13.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.415 ' CD2' ' HG3' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -135.63 12.36 3.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -112.18 -43.59 3.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.754 ' CD1' HD11 ' A' ' 51' ' ' ILE . 1.0 OUTLIER -35.94 155.15 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.4 Cg_endo -74.91 131.31 23.75 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.968 -2.513 . . . . 0.0 111.029 -0.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.599 HG12 ' CD2' ' A' ' 71' ' ' HIS . 92.5 t -103.32 123.43 56.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.876 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 93.5 m-85 -104.74 122.73 46.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.599 ' CD2' HG12 ' A' ' 69' ' ' VAL . 43.9 m170 -115.48 120.72 40.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.614 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.917 HD13 HD22 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -109.27 117.16 33.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.422 ' ND2' ' HG ' ' A' ' 94' ' ' LEU . 1.1 m-80 65.34 45.21 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.64 31.56 57.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -141.83 112.11 6.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.585 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -36.35 109.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.651 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -85.52 -44.75 12.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.1 ptt? -178.69 152.22 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.593 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 4.3 ptt? -149.31 160.67 43.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.593 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 5.1 m170 87.36 9.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.613 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.1 OUTLIER 163.68 -175.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.876 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 34.2 t -128.65 79.99 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.9 OUTLIER -80.57 81.97 6.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.261 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 85' ' ' SER . 18.0 p -37.42 -55.2 1.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.394 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.2 OUTLIER -36.11 -38.75 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.983 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -76.22 -60.99 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.469 HD11 HD11 ' A' ' 91' ' ' LEU . 5.5 tp -42.6 -64.54 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.546 ' HA ' HD12 ' A' ' 91' ' ' LEU . 3.6 mt-10 -43.55 -57.23 3.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.09 -55.64 5.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 91' ' ' LEU . 1.7 mp0 -53.27 -56.91 12.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.742 HD21 ' HD2' ' A' ' 44' ' ' PHE . 14.0 mt -38.15 -61.49 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 91' ' ' LEU . 11.4 mtt85 -38.01 -61.95 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.453 ' O ' ' CG ' ' A' ' 93' ' ' LYS . 0.9 OUTLIER -96.88 83.71 3.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.917 HD22 HD13 ' A' ' 72' ' ' LEU . 5.4 tp -162.48 -62.06 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.5 m -42.38 141.38 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -166.42 156.99 29.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -43.84 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.1 p -166.09 125.83 1.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 110.013 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.46 163.81 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.979 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 -179.98 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.41 145.97 29.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 0.779 . . . . 0.0 110.0 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.2 m -97.84 161.19 13.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.051 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.09 179.61 16.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.86 160.1 40.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 0.748 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.14 165.87 34.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.68 165.27 16.51 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -160.31 144.82 14.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 0.719 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.1 mp -114.4 173.31 6.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.14 131.16 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -140.26 136.11 32.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.65 166.98 23.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -159.14 139.79 12.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.09 169.24 17.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 64.04 122.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 42' ' ' ASP . 63.5 mt -93.29 156.91 39.61 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 162.09 37.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.539 1.81 . . . . 0.0 110.947 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.5 t -104.56 122.25 57.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.754 HD11 HD23 ' A' ' 77' ' ' LEU . 7.2 tp -109.17 114.72 28.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -78.75 126.75 31.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.405 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.627 HD12 ' N ' ' A' ' 22' ' ' PHE . 2.4 tp -121.43 122.95 40.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.627 ' N ' HD12 ' A' ' 21' ' ' LEU . 78.3 m-85 -110.64 104.13 12.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.478 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 1.6 t -119.47 151.26 38.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.381 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.637 ' HD3' HD11 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -144.35 120.45 10.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.518 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -86.27 138.17 34.49 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.99 163.27 91.1 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.024 -0.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 24' ' ' LYS . 1.8 p -170.97 111.87 0.42 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 108.319 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -33.24 4.77 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.449 ' C ' ' N ' ' A' ' 31' ' ' ASP . 3.9 mm? -82.1 -68.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 35.2 m -41.03 -29.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 108.303 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.449 ' N ' ' C ' ' A' ' 29' ' ' LEU . 5.6 t70 -73.4 -57.06 4.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.573 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -63.45 -44.8 93.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.627 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -39.19 -59.62 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.564 ' CG ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -45.4 -52.0 10.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -53.73 -28.47 34.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 32' ' ' GLU . 13.9 t -78.75 -19.82 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.55 HD11 ' CE2' ' A' ' 70' ' ' PHE . 13.2 mt -99.08 18.32 17.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.509 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -67.03 -51.24 37.87 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.258 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -74.98 -0.46 9.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.555 1.818 . . . . 0.0 111.035 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.407 ' CE2' ' HG2' ' A' ' 39' ' ' PRO . 81.9 m-85 -120.69 6.92 10.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -34.69 78.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.501 ' O ' HD13 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -90.91 -18.18 25.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.428 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 12.4 mmp_? -65.87 -14.79 62.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.713 ' HD2' HD21 ' A' ' 91' ' ' LEU . 2.1 p90 -178.55 175.96 1.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.4 mt -92.68 99.78 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.641 HD13 HD23 ' A' ' 19' ' ' LEU . 55.3 tp -71.57 112.6 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.38 102.93 15.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.422 ' HG3' HD23 ' A' ' 21' ' ' LEU . 5.2 mt-10 -84.19 99.76 10.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.0 t -90.96 144.12 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.11 102.87 12.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.673 HG22 ' HB3' ' A' ' 59' ' ' TRP . 18.5 pt -77.67 -24.65 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 11.8 p -60.58 -14.19 18.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.3 mt -76.0 159.44 80.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -47.2 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.427 1.751 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -59.52 -24.29 63.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -103.86 7.08 36.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.0 t -42.63 -31.01 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.975 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.2 m -67.99 -50.69 54.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.376 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.673 ' HB3' HG22 ' A' ' 51' ' ' ILE . 21.6 m95 -49.14 -31.99 9.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 107.972 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.603 ' CD2' HD12 ' A' ' 51' ' ' ILE . 18.6 t80 -82.85 -50.93 8.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.432 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 4.6 mt-10 -53.49 -18.41 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.635 ' NH1' ' CZ3' ' A' ' 59' ' ' TRP . 9.6 ptp180 -103.26 -31.61 9.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.578 ' CE2' ' HD2' ' A' ' 62' ' ' ARG . 23.5 m-85 -134.3 74.4 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.586 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -110.68 -13.92 14.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.476 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 2.5 p90 -139.26 10.81 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.517 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -121.66 31.37 6.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.348 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.637 HD11 ' HD3' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -108.88 162.93 18.23 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.351 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -75.02 150.12 94.9 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.995 0.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.571 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 71.7 t -108.43 151.86 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.992 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 97.1 m-85 -137.76 123.13 19.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.571 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 35.1 m170 -114.79 122.23 45.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.606 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.924 HD13 HD22 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -107.35 113.58 27.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.419 ' ND2' ' HG ' ' A' ' 94' ' ' LEU . 2.7 m-80 66.54 54.42 0.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 50.33 41.35 39.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -156.26 121.84 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 110.299 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.496 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -43.99 120.83 2.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.989 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.754 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -98.25 -42.63 7.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.552 ' HE2' HD21 ' A' ' 77' ' ' LEU . 8.3 ptt? -176.46 150.2 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.503 ' SD ' ' NE2' ' A' ' 80' ' ' HIS . 2.1 ptt? -144.72 159.1 43.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.939 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.503 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 2.5 m170 88.19 9.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.584 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 4.6 mtt-85 160.46 -170.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.992 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 86.8 t -127.27 83.19 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 84' ' ' THR . 74.8 m-20 -73.99 74.73 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 83' ' ' ASN . 41.5 p -36.15 -55.52 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.378 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.3 OUTLIER -38.65 -47.47 1.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.041 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -66.58 -60.98 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.4 tp -42.19 -66.06 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -44.55 -54.99 5.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.03 -41.93 17.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 91' ' ' LEU . 37.8 mm-40 -69.27 -57.89 4.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.713 HD21 ' HD2' ' A' ' 44' ' ' PHE . 17.0 mt -37.8 -57.56 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -43.06 -56.8 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -109.18 93.38 4.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.924 HD22 HD13 ' A' ' 72' ' ' LEU . 12.8 tp -170.06 -61.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.69 158.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.055 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.75 -157.19 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -45.35 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.77 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.35 162.32 24.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.46 -57.7 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.469 1.105 . . . . 0.0 111.039 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -133.84 83.89 2.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 0.802 . . . . 0.0 110.036 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.56 165.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.984 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.44 118.05 0.83 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.3 p -135.64 168.25 19.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 109.993 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.85 160.32 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.52 -173.87 13.19 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.69 166.1 9.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 0.798 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.57 154.76 27.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.71 153.32 45.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.959 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -114.43 -59.03 2.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t 52.83 86.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -132.51 154.86 49.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.427 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 23.1 mtt180 -150.56 132.56 15.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 14' ' ' ARG . . . 68.14 122.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.7 mt -96.19 157.11 36.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 164.03 34.11 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -107.06 114.72 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.761 HD11 HD23 ' A' ' 77' ' ' LEU . 7.0 tp -102.81 113.87 27.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 m -77.64 125.94 30.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.642 ' HB2' HD11 ' A' ' 46' ' ' LEU . 1.7 tp -118.26 119.52 34.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.611 ' N ' HD12 ' A' ' 21' ' ' LEU . 69.4 m-85 -109.1 100.59 9.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.462 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -112.39 173.54 6.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.703 ' HB2' HG22 ' A' ' 52' ' ' THR . 0.0 OUTLIER -162.78 -176.91 5.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.532 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -153.22 144.44 16.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.98 137.88 52.89 Favored 'Cis proline' 0 C--N 1.359 1.108 0 C-N-CA 121.057 -2.476 . . . . 0.0 110.966 0.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -165.74 107.59 0.74 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 108.29 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -44.03 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.537 1.809 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.1 mt -46.43 -62.83 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.447 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 71.1 m -42.76 -61.06 1.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 108.314 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -44.77 -54.46 6.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -57.06 -54.24 49.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.339 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.758 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -36.61 -57.32 0.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.527 ' CG ' HD21 ' A' ' 21' ' ' LEU . 9.6 mtpt -46.8 -50.61 18.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' GLU . 9.2 mt-10 -54.23 -26.2 27.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 33' ' ' ALA . 12.1 t -82.7 -17.47 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.603 HD11 ' CE2' ' A' ' 70' ' ' PHE . 15.5 mt -102.4 0.31 33.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.49 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -50.33 -52.3 55.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.2 Cg_endo -74.98 0.6 8.7 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.511 1.795 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.403 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 98.0 m-85 -119.3 14.22 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 44' ' ' PHE . 14.1 mttt -70.85 -46.66 62.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.8 -9.66 59.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -72.81 -29.18 63.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.803 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.5 p90 -164.28 -179.28 5.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.2 mt -94.05 97.73 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.642 HD11 ' HB2' ' A' ' 21' ' ' LEU . 50.2 tp -72.01 111.7 7.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.65 102.79 15.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.117 . . . . 0.0 110.31 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -82.91 99.55 9.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.57 HG11 ' HE1' ' A' ' 22' ' ' PHE . 83.9 t -93.27 134.18 31.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.345 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.27 103.27 15.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.855 HD12 ' CD2' ' A' ' 60' ' ' TYR . 11.5 pt -80.8 -18.82 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.703 HG22 ' HB2' ' A' ' 24' ' ' LYS . 34.4 p -64.2 -11.77 34.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.1 mt -81.28 158.99 68.66 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -45.11 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.799 . . . . 0.0 111.003 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -63.6 -21.68 66.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -105.67 -0.02 25.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 60' ' ' TYR . 40.9 t -40.17 -47.78 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.027 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.0 m -44.45 -48.74 10.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.656 ' HB3' HG22 ' A' ' 51' ' ' ILE . 54.2 m95 -55.93 -39.44 71.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.855 ' CD2' HD12 ' A' ' 51' ' ' ILE . 21.1 t80 -74.14 -52.8 11.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -51.12 -25.0 4.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.551 ' NE ' ' CE2' ' A' ' 63' ' ' TYR . 8.1 ptm180 -97.61 -28.18 14.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.327 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.551 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 23.4 m-85 -137.14 72.67 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 0.4 OUTLIER -109.84 -15.36 14.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.41 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 1.5 p90 -130.18 6.46 4.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.58 1.175 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.48 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -105.45 -46.38 4.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.701 HD13 ' CD1' ' A' ' 51' ' ' ILE . 5.0 pt -35.77 155.47 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.5 Cg_endo -74.96 133.56 31.94 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.036 -0.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.565 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 77.3 t -103.66 136.8 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.887 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 95.7 m-85 -119.73 123.94 44.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.565 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 45.5 m170 -115.48 123.14 47.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.597 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.829 HD13 ' CD2' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -109.29 116.91 32.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.494 HD22 HD21 ' A' ' 94' ' ' LEU . 6.3 m-80 62.88 52.72 2.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 50.79 41.32 43.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.96 118.53 4.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 110.353 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.565 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.0 OUTLIER -42.41 110.86 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.022 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.761 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -86.8 -44.8 11.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -177.11 152.21 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.615 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 4.2 ptt? -148.88 160.54 43.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.615 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 5.6 m170 87.37 8.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.615 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 3.2 ptp180 163.69 -174.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.887 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 48.2 t -130.46 80.14 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 84' ' ' THR . 5.7 m-20 -81.26 83.37 6.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 85' ' ' SER . 19.4 p -37.99 -54.24 1.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.1 OUTLIER -36.45 -41.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 109.99 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -59.63 2.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.1 tp -47.68 -60.96 2.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -44.4 -55.19 5.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.0 -51.22 24.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 91' ' ' LEU . 33.5 mm-40 -58.31 -59.98 4.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.803 HD21 ' HD2' ' A' ' 44' ' ' PHE . 18.0 mt -38.96 -58.96 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -39.87 -59.39 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -103.91 93.08 4.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.829 ' CD2' HD13 ' A' ' 72' ' ' LEU . 8.4 tp -171.34 -63.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.88 158.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.032 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -60.6 176.91 3.93 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -39.07 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.41 81.85 8.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.031 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.93 86.74 2.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.959 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 110.961 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.452 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER 163.56 -81.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.972 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.9 p -76.83 -58.7 3.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.028 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.58 -117.92 0.86 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.3 t 57.49 97.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.95 164.39 18.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.99 139.73 6.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -91.79 137.79 32.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 0.743 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.08 111.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.5 168.37 3.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -111.79 162.26 15.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.4 p -99.84 168.25 10.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.046 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -41.56 152.28 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -178.43 142.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.83 128.61 16.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.0 mt -87.35 157.15 53.57 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 162.97 36.17 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.463 1.77 . . . . 0.0 111.019 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.4 t -105.97 111.58 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.678 HD11 HD23 ' A' ' 77' ' ' LEU . 5.5 tp -98.73 109.18 21.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.8 m -78.13 113.14 15.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.565 HD23 ' HG3' ' A' ' 48' ' ' GLU . 5.4 tp -104.81 122.78 46.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.618 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 65.8 m-85 -106.19 99.64 9.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -105.97 171.14 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.438 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.704 ' HG2' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -167.46 -176.6 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.541 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -153.0 143.6 15.68 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.92 143.58 78.27 Favored 'Cis proline' 0 C--N 1.359 1.114 0 C-N-CA 121.05 -2.479 . . . . 0.0 111.038 -0.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -171.09 100.3 0.41 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 108.322 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -15.06 20.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.479 1.779 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.529 ' N ' HD12 ' A' ' 29' ' ' LEU . 3.0 mp -71.88 -51.72 20.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 31' ' ' ASP . 12.3 p -47.35 -41.36 19.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 108.289 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.462 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 2.2 m-20 -62.97 -62.72 1.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.642 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -49.86 -54.17 21.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.712 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -40.14 -60.64 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' LEU . 3.1 mttt -46.12 -52.02 12.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -52.93 -25.88 13.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 32' ' ' GLU . 13.3 t -82.29 -22.08 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.583 HD11 ' CE2' ' A' ' 70' ' ' PHE . 16.2 mt -98.31 -3.81 36.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.504 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -47.42 -51.55 42.68 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.04 1.74 7.43 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.453 1.765 . . . . 0.0 111.038 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.542 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 97.9 m-85 -121.58 9.21 10.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 44' ' ' PHE . 1.4 mmmt -61.86 -46.23 90.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.11 -17.69 42.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -62.39 -28.27 69.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.346 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.631 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 1.9 p90 -163.72 -176.79 4.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.1 mt -95.68 99.99 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.58 HD13 HD23 ' A' ' 19' ' ' LEU . 34.5 tp -74.56 105.52 5.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -93.46 98.09 10.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.565 ' HG3' HD23 ' A' ' 21' ' ' LEU . 2.1 mt-10 -78.21 103.51 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.504 HG11 ' HE1' ' A' ' 22' ' ' PHE . 94.6 t -93.58 126.74 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.401 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 1.7 m-20 -87.34 102.91 14.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.74 HD11 ' CD1' ' A' ' 67' ' ' ILE . 14.8 pt -80.18 -18.73 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.594 HG22 ' HB2' ' A' ' 24' ' ' LYS . 30.1 p -70.56 -6.16 34.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.387 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.7 mt -78.76 159.9 73.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -37.58 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.86 -15.89 59.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.335 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 86.7 m-20 -110.57 5.86 21.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.48 -23.31 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.033 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.3 m -67.7 -53.01 31.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.423 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.622 ' HB3' HG22 ' A' ' 51' ' ' ILE . 59.5 m95 -52.49 -28.3 19.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 108.021 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.713 ' CD2' HD12 ' A' ' 51' ' ' ILE . 32.5 t80 -82.51 -53.39 6.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -52.06 -19.84 2.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.575 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -101.07 -32.31 10.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.575 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 24.7 m-85 -136.24 76.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.572 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 4.8 pttt -114.08 -1.71 13.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -140.12 15.53 2.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.402 1.064 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -119.0 -41.58 2.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.74 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.9 OUTLIER -36.48 155.04 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.1 Cg_endo -75.02 130.14 20.51 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.001 -2.5 . . . . 0.0 110.975 0.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.563 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 72.2 t -97.0 134.04 36.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.924 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 92.6 m-85 -116.5 120.2 38.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.585 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 37.4 m170 -114.88 116.95 29.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.591 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 1.094 HD13 HD11 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -103.08 119.54 39.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.612 ' ND2' HD13 ' A' ' 94' ' ' LEU . 17.5 m-80 62.35 52.95 2.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 49.21 41.5 30.98 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -154.94 120.35 5.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 110.299 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.585 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 1.1 t80 -41.96 113.5 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.678 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -90.5 -43.39 10.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.447 ' HA ' ' CE1' ' A' ' 76' ' ' PHE . 8.9 ptt? -177.28 148.19 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 111.063 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.542 ' SD ' ' NE2' ' A' ' 80' ' ' HIS . 3.7 ptt? -144.99 161.47 39.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.542 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 4.5 m170 88.52 9.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.572 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 3.5 mtt85 161.11 -167.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.924 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 22.0 t -131.69 80.63 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 84' ' ' THR . 3.3 m-20 -80.03 77.9 6.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 83' ' ' ASN . 81.2 p -36.16 -52.18 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.412 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 84' ' ' THR . 0.2 OUTLIER -37.86 -44.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.016 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -62.51 1.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.609 HD21 ' HE2' ' A' ' 44' ' ' PHE . 12.8 tp -41.51 -67.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -41.41 -52.39 3.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -50.15 -54.07 23.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 93' ' ' LYS . 25.9 mm-40 -58.75 -49.24 78.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.346 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.4 mt -40.93 -44.68 2.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.7 ptt85 -79.49 -35.4 40.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.486 ' O ' ' CG ' ' A' ' 93' ' ' LYS . 3.6 tttt -101.94 75.43 1.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.094 HD11 HD13 ' A' ' 72' ' ' LEU . 8.6 mt -144.99 -59.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.8 t 57.29 165.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.974 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -42.23 135.23 3.75 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -66.68 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.447 1.762 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.2 t -112.3 106.33 14.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.0 p -165.63 139.2 4.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.537 1.148 . . . . 0.0 110.992 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.6 p -88.8 149.43 23.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 110.01 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.14 -58.13 2.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 110.016 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.71 168.37 34.06 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -151.26 170.17 20.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 0.737 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 p -172.23 136.87 0.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.13 -134.96 6.18 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.53 102.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 109.329 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.22 105.61 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.9 p -133.05 170.8 14.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 109.997 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 61.57 149.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.62 137.34 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 110.058 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -119.5 164.52 15.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.4 121.46 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -169.41 120.36 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.9 mt -104.99 157.01 35.16 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.92 42.97 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.4 t -100.37 116.0 42.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.716 HD23 HD13 ' A' ' 46' ' ' LEU . 8.5 tp -102.84 110.1 21.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.408 ' HB ' ' HB2' ' A' ' 71' ' ' HIS . 45.8 m -80.8 109.1 15.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.683 ' HB2' HD11 ' A' ' 46' ' ' LEU . 8.3 tp -100.3 122.71 43.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.437 ' CZ ' ' CZ3' ' A' ' 59' ' ' TRP . 70.4 m-85 -105.32 99.31 8.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -107.46 171.4 7.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.769 ' HG2' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -165.37 -176.61 4.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.54 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -150.13 140.76 14.27 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.02 147.07 88.35 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.037 -2.484 . . . . 0.0 110.973 -0.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.3 t -165.19 101.16 0.79 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 108.318 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -21.16 16.13 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.468 1.773 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.414 ' CD2' ' N ' ' A' ' 29' ' ' LEU . 1.1 mm? -70.06 -57.35 5.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.478 ' SG ' ' N ' ' A' ' 31' ' ' ASP . 11.6 p -40.52 -42.19 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.286 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.478 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -57.09 -65.3 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.914 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -53.6 -50.41 65.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 110.266 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.767 ' HA ' HG21 ' A' ' 82' ' ' VAL . . . -41.84 -62.59 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 37' ' ' LEU . 2.0 mttm -46.63 -53.06 12.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -53.47 -26.53 20.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 32' ' ' GLU . 6.3 t -82.0 -19.82 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.587 HD11 ' CE2' ' A' ' 70' ' ' PHE . 15.4 mt -100.92 -1.43 34.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.492 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -49.69 -52.16 53.43 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.285 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.0 1.11 8.1 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.51 1.795 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.417 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 97.8 m-85 -119.85 12.34 12.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -68.4 -53.44 23.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.53 -13.83 60.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -64.73 -42.7 95.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.837 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.1 p90 -149.46 -172.89 4.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 10.4 mt -98.84 98.78 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.716 HD13 HD23 ' A' ' 19' ' ' LEU . 41.6 tp -75.28 107.17 7.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -93.68 97.82 10.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.433 ' OE2' ' NZ ' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -77.89 106.74 9.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.434 HG11 ' HE1' ' A' ' 22' ' ' PHE . 72.4 t -95.35 129.16 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.41 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 8.5 m-20 -87.87 103.06 15.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.728 HD11 ' CD1' ' A' ' 67' ' ' ILE . 14.2 pt -82.71 -14.3 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 4.8 p -73.95 -4.38 34.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.403 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.4 mt -82.76 159.34 63.69 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -35.27 3.25 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -77.29 -12.41 59.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 50' ' ' ASP . 90.4 m-20 -115.49 6.11 14.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.18 -29.65 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.026 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -65.45 -45.66 82.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.43 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.706 ' HB3' HG22 ' A' ' 51' ' ' ILE . 44.5 m95 -57.92 -29.53 65.2 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.718 ' CD2' HD12 ' A' ' 51' ' ' ILE . 31.9 t80 -82.22 -56.75 3.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -50.92 -21.36 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.341 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.584 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 11.0 ptm180 -98.23 -30.91 12.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.584 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 21.7 m-85 -138.71 74.71 1.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.624 ' CE ' ' CE2' ' A' ' 65' ' ' PHE . 3.7 pttt -109.99 -35.22 6.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.624 ' CE2' ' CE ' ' A' ' 64' ' ' LYS . 11.5 m-85 -106.63 12.37 29.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -111.62 -46.14 3.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.769 HD12 ' HG2' ' A' ' 24' ' ' LYS . 1.5 pt -36.16 155.27 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -75.02 131.32 23.84 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.048 -2.48 . . . . 0.0 111.003 0.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.558 HG12 ' CD2' ' A' ' 71' ' ' HIS . 91.6 t -99.45 139.63 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.926 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 89.6 m-85 -122.6 121.39 36.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.573 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 44.7 m170 -115.24 117.84 31.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 1.01 HD13 HD11 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -105.32 123.33 47.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.76 HD22 HD13 ' A' ' 94' ' ' LEU . 12.8 m-80 62.13 44.73 7.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.28 41.4 79.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -154.48 119.65 5.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.769 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.573 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 1.0 OUTLIER -39.68 107.96 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 111.028 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.708 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -85.53 -44.57 12.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.4 ' HA ' ' CE1' ' A' ' 76' ' ' PHE . 9.8 ptt? -175.52 148.39 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.571 ' HG3' ' CE1' ' A' ' 80' ' ' HIS . 5.2 ptp -145.11 162.69 36.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.571 ' CE1' ' HG3' ' A' ' 79' ' ' MET . 6.7 m170 87.82 8.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.617 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.464 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 160.7 -174.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.926 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 7.9 t -124.01 81.81 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 84' ' ' THR . 1.7 m120 -81.2 77.71 8.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.427 ' CG2' HG12 ' A' ' 36' ' ' VAL . 24.9 p -36.29 -48.95 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.412 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m -41.39 -49.99 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -64.4 -56.11 16.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.447 HD21 ' HE2' ' A' ' 44' ' ' PHE . 6.8 tp -47.24 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -41.59 -53.25 3.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.97 -54.42 6.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' LEU . 48.7 mm-40 -58.74 -55.21 38.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.837 HD21 ' HD2' ' A' ' 44' ' ' PHE . 19.4 mt -39.88 -55.97 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.0 mtp85 -42.76 -59.0 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.341 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.53 129.31 34.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.01 HD11 HD13 ' A' ' 72' ' ' LEU . 5.7 mt -143.84 -64.82 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.4 t -86.66 -56.26 3.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.49 176.87 51.63 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 85.55 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 42.59 84.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.8 t -53.21 143.47 18.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.549 1.156 . . . . 0.0 111.043 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 t -122.35 96.82 5.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 0.803 . . . . 0.0 110.024 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.53 93.79 5.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.01 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.01 146.49 4.34 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.55 96.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.937 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.08 158.02 2.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 109.96 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.75 133.89 1.58 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -117.18 108.9 16.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.747 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.69 107.81 0.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.91 168.26 26.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.969 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -148.63 142.82 26.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.3 p -83.41 77.06 9.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -169.22 105.16 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -170.06 105.5 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -140.85 123.44 16.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.8 mt -92.29 156.85 41.41 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 166.64 28.78 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.543 1.812 . . . . 0.0 111.05 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.0 t -109.35 116.94 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.088 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.7 HD11 HD23 ' A' ' 77' ' ' LEU . 7.0 tp -102.67 112.17 24.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.112 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.49 114.46 17.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.422 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.605 ' HB2' HD11 ' A' ' 46' ' ' LEU . 6.3 tp -109.3 122.73 47.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.819 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 89.2 m-85 -114.67 107.35 15.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.447 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 1.5 t -121.67 152.66 39.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 110.399 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.65 ' HD3' HD11 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -137.15 120.58 17.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.513 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -88.16 137.91 30.94 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.05 164.61 88.0 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.026 -2.489 . . . . 0.0 110.967 0.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.497 ' HB3' ' O ' ' A' ' 24' ' ' LYS . 1.7 p -169.65 109.85 0.47 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 108.257 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -28.69 8.95 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.774 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 32' ' ' GLU . 18.8 mt -85.57 -66.61 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.447 ' HB3' ' CB ' ' A' ' 23' ' ' THR . 35.8 m -43.78 -30.96 0.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 108.298 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -68.96 -49.17 60.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.483 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -68.77 -45.8 70.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.734 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -38.53 -58.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.588 ' CG ' HD21 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -46.66 -49.16 19.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 32' ' ' GLU . 10.0 mt-10 -56.37 -27.14 55.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 32' ' ' GLU . 14.8 t -80.79 -17.43 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.552 HD11 ' CE1' ' A' ' 70' ' ' PHE . 16.5 mt -102.52 10.41 38.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.509 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -61.43 -51.19 79.21 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.01 -1.57 11.4 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.454 1.765 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.468 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 98.0 m-85 -116.43 2.78 13.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -58.77 -31.58 68.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -94.38 -16.25 23.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -70.21 -10.03 57.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.592 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 2.3 p90 176.77 175.23 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 57.7 mt -91.02 98.99 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.628 HD13 HD23 ' A' ' 19' ' ' LEU . 57.6 tp -71.4 111.21 6.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.348 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.454 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -92.61 102.95 15.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.457 ' HG3' HD23 ' A' ' 21' ' ' LEU . 2.8 mt-10 -84.4 100.29 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.702 HG11 ' HE1' ' A' ' 22' ' ' PHE . 96.4 t -93.9 147.71 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.2 102.87 12.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.625 HD12 ' CD2' ' A' ' 60' ' ' TYR . 13.7 pt -80.04 -11.08 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.447 ' CG2' ' HB2' ' A' ' 24' ' ' LYS . 21.6 p -75.42 0.24 17.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.422 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.0 mt -92.0 160.1 36.43 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -37.66 1.91 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.503 1.791 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -72.53 -20.88 61.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.349 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -106.26 7.71 31.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.4 t -49.58 -22.08 1.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -70.03 -49.84 47.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.819 ' CE3' ' CZ ' ' A' ' 22' ' ' PHE . 78.9 m95 -59.22 -19.65 47.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 108.012 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.625 ' CD2' HD12 ' A' ' 51' ' ' ILE . 38.2 t80 -88.95 -56.18 3.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -52.22 -20.03 2.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.568 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 9.4 ptm180 -96.82 -31.48 12.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.697 ' CG ' HG21 ' A' ' 69' ' ' VAL . 22.3 m-85 -135.48 66.77 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.09 -9.21 20.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.477 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 2.3 p90 -147.48 17.28 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 111.038 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.477 ' OD1' ' CD1' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -129.4 30.37 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.65 HD11 ' HD3' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -104.36 163.91 16.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.568 ' HA ' ' CB ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.97 151.81 97.4 Favored 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.988 0.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.697 HG21 ' CG ' ' A' ' 63' ' ' TYR . 71.8 t -107.88 149.99 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.958 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 97.3 m-85 -138.17 117.42 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.575 ' CD2' ' HA ' ' A' ' 76' ' ' PHE . 30.4 m170 -110.84 117.45 33.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.612 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.891 HD13 HD11 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -103.46 118.61 37.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.665 HD22 HD13 ' A' ' 94' ' ' LEU . 1.1 m-80 68.11 24.91 7.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.29 39.11 32.23 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -150.97 119.11 6.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.575 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.8 OUTLIER -38.23 101.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.7 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -80.52 -43.73 20.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.647 ' HE2' HD21 ' A' ' 77' ' ' LEU . 7.0 ptt? -175.62 149.65 1.0 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.519 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 3.2 ptt? -143.35 158.52 43.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.519 ' CD2' ' HG3' ' A' ' 79' ' ' MET . 3.4 m170 87.68 9.64 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.64 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.476 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 7.5 mtt180 160.45 -168.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.958 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 16.4 t -129.93 81.05 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 86' ' ' LYS . 2.3 m120 -73.99 78.72 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 83' ' ' ASN . 1.4 p -37.34 -49.04 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.374 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.3 t -42.08 -48.22 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.527 ' HD2' HD12 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -67.73 -60.41 2.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.419 HD11 HD11 ' A' ' 91' ' ' LEU . 16.6 tp -40.56 -67.19 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -44.5 -55.92 4.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.06 -49.34 8.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 94' ' ' LEU . 26.0 mm-40 -62.29 -55.77 25.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.461 HD21 ' HD2' ' A' ' 44' ' ' PHE . 69.2 mt -47.64 -53.62 14.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 91' ' ' LEU . 11.4 mtt85 -37.97 -46.2 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 0.5 OUTLIER -119.84 -86.48 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.891 HD11 HD13 ' A' ' 72' ' ' LEU . 1.5 mt 76.41 -53.11 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.1 m -141.75 -58.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.034 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 168.27 -135.78 3.79 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 66.27 6.04 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.12 -84.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.972 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.11 152.58 21.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 110.985 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.1 p -63.68 140.08 58.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 109.985 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.8 p -150.05 102.33 3.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.92 -82.13 1.54 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.124 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -74.13 166.19 23.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 0.0 109.986 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.18 111.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.991 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.97 -83.63 0.04 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -96.02 125.2 40.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 10' ' ' SER . 4.1 pp -123.26 -46.29 2.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.44 ' N ' HD12 ' A' ' 9' ' ' LEU . 73.4 m 47.71 88.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.991 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -129.54 165.19 22.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.8 p -148.04 98.68 2.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 57.68 171.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -161.11 89.8 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.27 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.33 127.51 22.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.6 mt -99.93 157.17 34.38 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.37 27.2 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.45 1.763 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.3 t -110.38 110.12 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.841 HD23 ' CD1' ' A' ' 46' ' ' LEU . 7.3 tp -95.93 111.6 23.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.2 m -84.37 106.36 15.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.439 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.484 ' HB2' HD11 ' A' ' 46' ' ' LEU . 18.8 tp -97.6 119.68 36.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.357 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.565 ' CD1' ' HB ' ' A' ' 49' ' ' VAL . 72.1 m-85 -105.11 100.78 10.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -120.18 175.03 6.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.408 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.467 ' O ' ' SG ' ' A' ' 27' ' ' CYS . 2.2 ptmt -149.4 -173.9 4.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.474 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -141.43 131.34 12.85 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -74.99 165.83 84.9 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.963 -2.516 . . . . 0.0 110.999 -0.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.467 ' SG ' ' O ' ' A' ' 24' ' ' LYS . 28.3 p -153.25 99.42 2.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.332 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -27.27 10.09 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 32' ' ' GLU . 5.8 mt -86.61 -65.51 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.405 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 34.1 m -42.5 -29.57 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 108.303 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.454 ' N ' ' C ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -61.65 -51.62 67.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -71.87 -49.11 40.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.549 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -36.79 -57.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' CE ' HG21 ' A' ' 23' ' ' THR . 47.9 mttt -46.47 -50.83 16.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 32' ' ' GLU . 8.8 mt-10 -54.83 -26.07 32.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 33' ' ' ALA . 13.7 t -81.46 -16.2 12.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.551 HD11 ' CE2' ' A' ' 70' ' ' PHE . 13.9 mt -103.83 -0.74 28.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.47 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -50.34 -53.16 47.77 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.2 Cg_endo -75.01 1.25 7.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -119.86 12.96 12.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 44' ' ' PHE . 9.0 mtmp? -69.56 -51.95 30.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -15.51 60.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.424 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 4.0 mmp_? -63.89 -46.86 82.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.783 ' HD2' HD21 ' A' ' 91' ' ' LEU . 1.3 p90 -145.01 -176.77 5.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.7 mt -95.51 99.83 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.841 ' CD1' HD23 ' A' ' 19' ' ' LEU . 32.2 tp -76.57 105.34 7.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.591 1.182 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -93.6 98.49 11.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' HG3' HD23 ' A' ' 21' ' ' LEU . 2.2 mt-10 -79.31 105.16 10.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.565 ' HB ' ' CD1' ' A' ' 22' ' ' PHE . 77.1 t -93.48 133.31 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -91.55 103.3 15.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.745 HD12 ' CD2' ' A' ' 60' ' ' TYR . 11.2 pt -82.91 -9.78 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 24' ' ' LYS . 15.6 p -77.34 -2.3 34.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.373 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 53' ' ' LEU . 28.5 mt -86.4 161.43 48.69 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -38.2 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.541 1.811 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.21 -26.72 62.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -102.06 6.89 41.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 t -50.98 -22.0 2.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.9 m -68.23 -51.75 41.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.382 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.618 ' CB ' HG22 ' A' ' 51' ' ' ILE . 68.8 m95 -54.78 -28.83 51.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 108.025 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.745 ' CD2' HD12 ' A' ' 51' ' ' ILE . 31.1 t80 -80.37 -53.13 6.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.97 -18.45 3.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.261 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.562 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 9.1 ptm180 -102.6 -30.44 10.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.562 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 24.8 m-85 -140.33 76.73 1.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.584 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 23.1 pttt -116.85 -5.16 11.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -135.94 9.75 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.648 ' HB3' ' HE2' ' A' ' 80' ' ' HIS . 1.5 m-20 -113.08 -40.67 3.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.677 ' CD1' HD11 ' A' ' 51' ' ' ILE . 0.9 OUTLIER -36.01 155.45 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.3 Cg_endo -74.97 130.95 22.61 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.025 -0.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.586 HG12 ' CD2' ' A' ' 71' ' ' HIS . 62.8 t -102.9 121.22 53.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.916 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 94.5 m-85 -101.76 123.34 45.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.586 ' CD2' HG12 ' A' ' 69' ' ' VAL . 33.2 m170 -115.93 117.44 30.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 109.625 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 1.059 HD13 HD11 ' A' ' 94' ' ' LEU . 0.3 OUTLIER -106.13 119.49 39.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.719 ' ND2' HD13 ' A' ' 94' ' ' LEU . 18.2 m-80 62.29 51.98 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 48.83 37.58 21.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.95 115.56 5.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 0.777 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.58 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -38.93 111.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.639 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -88.46 -45.46 9.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.2 ptt? -177.4 150.21 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.592 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 3.8 ptt? -146.38 161.89 39.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.648 ' HE2' ' HB3' ' A' ' 66' ' ' ASP . 5.1 m170 87.53 9.91 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.595 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.482 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 15.1 mtt180 159.93 -173.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.916 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 21.0 t -123.26 81.44 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -74.83 75.57 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' ASN . 1.3 p -37.41 -53.07 1.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.143 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.8 t -41.69 -45.45 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.968 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER -69.7 -56.02 8.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.416 HD11 ' HE2' ' A' ' 44' ' ' PHE . 4.3 tp -47.53 -65.53 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.446 ' HA ' HD12 ' A' ' 91' ' ' LEU . 2.1 mt-10 -43.07 -49.87 6.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.428 ' HG2' ' NH1' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -53.32 -54.64 33.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.427 ' HG3' HD13 ' A' ' 77' ' ' LEU . 31.5 mm-40 -54.74 -51.32 66.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.783 HD21 ' HD2' ' A' ' 44' ' ' PHE . 35.0 mt -38.82 -39.9 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.428 ' NH1' ' HG2' ' A' ' 89' ' ' LYS . 1.9 ptt-85 -92.77 -36.35 12.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -44.6 85.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.059 HD11 HD13 ' A' ' 72' ' ' LEU . 60.6 mt -54.36 -51.5 64.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 41.8 t -150.74 135.65 17.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -122.25 -159.1 10.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.564 1.165 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -43.48 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.781 . . . . 0.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.6 m 60.1 153.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.972 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.6 m -61.65 129.45 41.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 p -151.18 151.2 31.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 110.003 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.3 p -162.18 -61.49 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.98 -152.25 23.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.52 169.1 4.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.974 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.7 171.58 15.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.981 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.57 -179.85 16.05 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -177.42 127.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.74 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.71 107.02 11.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.7 p -84.02 168.85 15.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.08 166.07 23.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.3 86.7 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 178.57 134.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.401 HH21 HD11 ' A' ' 16' ' ' LEU . 1.7 ttp180 -153.18 141.99 21.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -170.63 130.24 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.401 HD11 HH21 ' A' ' 14' ' ' ARG . 34.1 mt -101.66 157.31 33.92 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.61 16.03 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.454 1.765 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.2 t -115.46 115.07 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.248 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.84 HD23 HD13 ' A' ' 46' ' ' LEU . 6.5 tp -98.7 111.0 23.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m -78.65 106.19 10.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.377 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.735 HD23 ' HG3' ' A' ' 48' ' ' GLU . 5.5 tp -100.57 122.33 43.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.646 ' CZ ' ' CE3' ' A' ' 59' ' ' TRP . 61.3 m-85 -107.81 103.26 12.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.577 HG21 ' HE2' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -117.64 171.31 8.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.406 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.702 ' HG2' HD12 ' A' ' 67' ' ' ILE . 3.0 pttt -164.61 121.34 1.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.509 ' HA ' ' C ' ' A' ' 26' ' ' PRO . . . -87.63 137.55 32.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.95 164.87 87.38 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.998 -2.501 . . . . 0.0 111.018 -0.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.554 ' HB3' ' O ' ' A' ' 24' ' ' LYS . 2.9 p -172.53 110.63 0.36 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 108.334 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.52 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.457 1.767 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' CYS . 7.9 mp -73.22 -67.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' LEU . 44.7 m -40.39 -46.11 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 108.321 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -54.23 -58.1 8.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.649 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -61.07 -45.86 93.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.752 ' HB1' ' HZ ' ' A' ' 70' ' ' PHE . . . -39.11 -61.29 0.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.577 ' HE2' HG21 ' A' ' 23' ' ' THR . 13.4 mttt -45.93 -51.71 12.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -54.22 -28.92 44.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 32' ' ' GLU . 17.4 t -78.84 -21.42 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.562 HD11 ' CE2' ' A' ' 70' ' ' PHE . 12.4 mt -96.92 18.29 14.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.515 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -66.4 -50.85 46.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 38' ' ' GLN . 18.3 Cg_endo -75.01 0.85 8.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.545 1.813 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.572 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 74.6 m-85 -124.78 -0.2 8.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' LEU . 15.2 pttp -61.22 -22.24 64.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -103.7 -15.33 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.789 ' HD2' HD13 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -70.63 -13.37 62.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.601 ' HD2' HD21 ' A' ' 91' ' ' LEU . 6.4 p90 -173.78 179.18 2.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.6 mt -95.58 98.88 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.84 HD13 HD23 ' A' ' 19' ' ' LEU . 52.1 tp -73.3 108.84 6.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -93.55 98.81 11.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.735 ' HG3' HD23 ' A' ' 21' ' ' LEU . 2.2 mt-10 -80.07 101.86 8.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.513 HG11 ' CE1' ' A' ' 22' ' ' PHE . 94.4 t -88.23 138.87 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -99.48 102.95 14.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.707 HG22 ' HB3' ' A' ' 59' ' ' TRP . 24.4 pt -77.86 -26.99 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.506 HG23 ' HB2' ' A' ' 24' ' ' LYS . 4.8 p -56.59 -16.98 7.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.4 mt -70.64 157.57 89.85 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -37.42 2.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.87 -35.33 76.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.252 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 59' ' ' TRP . 87.4 m-20 -91.15 7.5 40.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.2 t -44.38 -27.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -70.83 -42.47 70.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.434 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.707 ' HB3' HG22 ' A' ' 51' ' ' ILE . 48.0 m95 -61.3 -16.14 42.65 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.601 ' CD2' HD12 ' A' ' 51' ' ' ILE . 28.6 t80 -96.35 -54.44 3.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.419 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 10.2 mt-10 -51.19 -20.43 1.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.561 ' HG3' ' CD2' ' A' ' 63' ' ' TYR . 11.1 ptm180 -99.21 -34.35 10.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.239 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.561 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 22.5 m-85 -131.13 71.29 1.47 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.505 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -109.33 -6.12 15.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.427 ' CD1' ' OD1' ' A' ' 66' ' ' ASP . 0.9 OUTLIER -143.15 14.13 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.96 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.663 ' HB3' ' HE2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -111.6 -46.23 3.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.702 HD12 ' HG2' ' A' ' 24' ' ' LYS . 5.3 pt -35.79 156.73 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 67' ' ' ILE . 18.2 Cg_endo -75.03 135.31 39.91 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.021 -0.041 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.563 ' CG1' ' NE2' ' A' ' 71' ' ' HIS . 97.0 t -105.64 139.66 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.93 ' CZ ' HG22 ' A' ' 82' ' ' VAL . 95.5 m-85 -122.65 123.53 41.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.563 ' NE2' ' CG1' ' A' ' 69' ' ' VAL . 45.8 m170 -115.52 122.23 45.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.622 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.848 HD13 HD22 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -106.51 113.43 26.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.43 ' ND2' ' HG ' ' A' ' 94' ' ' LEU . 9.0 m-80 64.11 56.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 48.82 41.78 28.27 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -153.25 123.36 6.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.784 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.55 ' HA ' ' CD2' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -48.22 111.04 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.766 HD23 HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -88.59 -44.56 10.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.266 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.405 ' O ' ' HB2' ' A' ' 70' ' ' PHE . 9.2 ptt? -177.43 151.81 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.62 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 4.1 ptt? -149.4 163.46 37.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.663 ' HE2' ' HB3' ' A' ' 66' ' ' ASP . 6.0 m170 87.22 10.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.574 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.466 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 160.94 -170.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.93 HG22 ' CZ ' ' A' ' 70' ' ' PHE . 48.2 t -129.96 83.51 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 84' ' ' THR . 7.2 m120 -83.76 76.76 9.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 83' ' ' ASN . 2.4 p -35.47 -46.98 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.415 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.6 -46.07 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.475 ' HD3' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -69.83 -62.42 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.467 HD12 ' HG ' ' A' ' 91' ' ' LEU . 4.2 tp -39.83 -68.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -41.48 -52.15 3.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.36 -63.22 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 91' ' ' LEU . 24.1 mm-40 -51.71 -53.78 35.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.789 HD13 ' HD2' ' A' ' 43' ' ' ARG . 21.6 mt -37.45 -61.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -39.17 -63.57 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -103.66 104.97 15.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.097 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.848 HD22 HD13 ' A' ' 72' ' ' LEU . 10.2 tp -175.94 -65.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.85 151.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.02 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 139.86 -166.71 25.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 98.66 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.5 1.79 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.7 m -41.67 119.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.956 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.5 t -105.31 87.06 2.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.984 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 -179.992 . . . . . . . . 0 0 . 1 stop_ save_